N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide

C19H29N5O2 — CID 91762934

IUPACN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCC2)ncc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N(C)C
InChIInChI=1S/C19H29N5O2/c1-12-14(11-20-19(21-12)24-8-5-4-6-9-24)18(25)22-15-13-7-10-26-17(13)16(15)23(2)3/h11,13,15-17H,4-10H2,1-3H3,(H,22,25)/t13-,15+,16-,17-/m1/s1
InChIKeyVLAAAWHBOIMYJI-XLNGHYISSA-N
MW359.47 g/mol
LogP1.22
Rot. Bonds4

About N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide

N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 91762934) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID91762934
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCC2)ncc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N(C)C
InChIInChI=1S/C19H29N5O2/c1-12-14(11-20-19(21-12)24-8-5-4-6-9-24)18(25)22-15-13-7-10-26-17(13)16(15)23(2)3/h11,13,15-17H,4-10H2,1-3H3,(H,22,25)/t13-,15+,16-,17-/m1/s1
InChIKeyVLAAAWHBOIMYJI-XLNGHYISSA-N
XLogP1.22
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-{[8-(5-acetyl-4-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72912414
N-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide
CID 110246688
N-cyclopentyl-2-methyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide
CID 110253447
N-1,9-dioxaspiro[5.5]undec-4-yl-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 70750873
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide
CID 74238262
morpholin-4-yl-[2-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]amino]-4-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 58168756
morpholin-4-yl-[2-[[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]amino]-4-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 58168757
(4,4-difluoropiperidin-1-yl)-[2-[[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]amino]-4-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 58168884
[4-(difluoromethyl)-2-[[(1S,2S,4R)-1,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]amino]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 68046745
morpholin-4-yl-[2-[[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]amino]-4-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 68376720
morpholin-4-yl-[2-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]amino]-4-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 68376724
(4,4-difluoropiperidin-1-yl)-[2-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]amino]-4-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 68376726

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 91762934) is N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide is Cc1nc(N2CCCCC2)ncc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N(C)C.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is VLAAAWHBOIMYJI-XLNGHYISSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-12-14(11-20-19(21-12)24-8-5-4-6-9-24)18(25)22-15-13-7-10-26-17(13)16(15)23(2)3/h11,13,15-17H,4-10H2,1-3H3,(H,22,25)/t13-,15+,16-,17-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 91762934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).