N-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide

C36H49N5O3 — CID 21045740

IUPACN-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
SMILESCc1cc2c(cc1Cc1ccc(C(=O)NCC3CCN(c4nccc(NCC5CCCO5)n4)CC3)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C36H49N5O3/c1-24-19-29-30(36(4,5)14-13-35(29,2)3)21-26(24)20-27-8-9-31(44-27)33(42)39-22-25-11-16-41(17-12-25)34-37-15-10-32(40-34)38-23-28-7-6-18-43-28/h8-10,15,19,21,25,28H,6-7,11-14,16-18,20,22-23H2,1-5H3,(H,39,42)(H,37,38,40)
InChIKeyJNVJTWVJLZFTLP-UHFFFAOYSA-N
MW599.82 g/mol
LogP6.56
Rot. Bonds9

About N-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide

N-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide (PubChem CID 21045740) has the molecular formula C36H49N5O3 and a molecular weight of 599.82 g/mol. Its IUPAC name is N-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
PubChem CID21045740
Molecular FormulaC36H49N5O3
Molecular Weight599.82 g/mol
Exact Mass599.38
IUPAC NameN-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
SMILESCc1cc2c(cc1Cc1ccc(C(=O)NCC3CCN(c4nccc(NCC5CCCO5)n4)CC3)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C36H49N5O3/c1-24-19-29-30(36(4,5)14-13-35(29,2)3)21-26(24)20-27-8-9-31(44-27)33(42)39-22-25-11-16-41(17-12-25)34-37-15-10-32(40-34)38-23-28-7-6-18-43-28/h8-10,15,19,21,25,28H,6-7,11-14,16-18,20,22-23H2,1-5H3,(H,39,42)(H,37,38,40)
InChIKeyJNVJTWVJLZFTLP-UHFFFAOYSA-N
XLogP6.56
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.82
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(cyclohexylmethyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21048323
ethyl 4-[[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 21046387
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112886715
tert-butyl 3-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]amino]pyrrolidine-1-carboxylate
CID 21048458
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21045848
N-(4,6-dimethoxypyrimidin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047840
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 21045842
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109300925
N-[1-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]acetamide
CID 21046750
N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21048002
N-[[2-[2-(hydroxymethyl)phenoxy]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046965
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046994

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide (CID 21045740) is N-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide is Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCN(c4nccc(NCC5CCCO5)n4)CC3)o1)C(C)(C)CCC2(C)C.
What is the InChIKey of N-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?
The InChIKey is JNVJTWVJLZFTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H49N5O3/c1-24-19-29-30(36(4,5)14-13-35(29,2)3)21-26(24)20-27-8-9-31(44-27)33(42)39-22-25-11-16-41(17-12-25)34-37-15-10-32(40-34)38-23-28-7-6-18-43-28/h8-10,15,19,21,25,28H,6-7,11-14,16-18,20,22-23H2,1-5H3,(H,39,42)(H,37,38,40).
What are the key properties of N-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?
N-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide has a molecular weight of 599.82 g/mol, XLogP of 6.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21045740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).