N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide

C22H31N5O4 — CID 136888248

IUPACN-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESCc1nc(N2CCC[C@H](NC(=O)c3cc(CN4CCOCC4)oc3C)C2)[nH]c(=O)c1C
InChIInChI=1S/C22H31N5O4/c1-14-15(2)23-22(25-20(14)28)27-6-4-5-17(12-27)24-21(29)19-11-18(31-16(19)3)13-26-7-9-30-10-8-26/h11,17H,4-10,12-13H2,1-3H3,(H,24,29)(H,23,25,28)/t17-/m0/s1
InChIKeyGGSHKTOQLVKDLN-KRWDZBQOSA-N
MW429.52 g/mol
LogP1.52
Rot. Bonds5

About N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide

N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide (PubChem CID 136888248) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
PubChem CID136888248
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC NameN-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESCc1nc(N2CCC[C@H](NC(=O)c3cc(CN4CCOCC4)oc3C)C2)[nH]c(=O)c1C
InChIInChI=1S/C22H31N5O4/c1-14-15(2)23-22(25-20(14)28)27-6-4-5-17(12-27)24-21(29)19-11-18(31-16(19)3)13-26-7-9-30-10-8-26/h11,17H,4-10,12-13H2,1-3H3,(H,24,29)(H,23,25,28)/t17-/m0/s1
InChIKeyGGSHKTOQLVKDLN-KRWDZBQOSA-N
XLogP1.52
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide with MolForge

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Related Compounds

N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 136816049
5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide
CID 92606277
3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
CID 126769937
2-(2-morpholin-4-ylethoxy)-N-(1-pyridin-2-ylpiperidin-3-yl)benzamide
CID 110149548
methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 97101306
methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 78791073
5,6-dimethyl-2-oxo-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 127974631
N-[(E)-5-[(4-tert-butylcyclohexyl)amino]-4-methylimino-5-oxopent-2-en-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide;molecular hydrogen
CID 143609158
5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63572070
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 154849852
6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide
CID 55803029
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 43586208

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide (CID 136888248) is N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide is Cc1nc(N2CCC[C@H](NC(=O)c3cc(CN4CCOCC4)oc3C)C2)[nH]c(=O)c1C.
What is the InChIKey of N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The InChIKey is GGSHKTOQLVKDLN-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-14-15(2)23-22(25-20(14)28)27-6-4-5-17(12-27)24-21(29)19-11-18(31-16(19)3)13-26-7-9-30-10-8-26/h11,17H,4-10,12-13H2,1-3H3,(H,24,29)(H,23,25,28)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 136888248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).