N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide

C19H31N5O2 — CID 166985828

IUPACN-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(n2c(NC(C)C)nc3c(c2=O)C[C@@H](C)NC3)CC1
InChIInChI=1S/C19H31N5O2/c1-11(2)22-19-23-16-10-21-12(3)9-15(16)18(26)24(19)14-7-5-13(6-8-14)17(25)20-4/h11-14,21H,5-10H2,1-4H3,(H,20,25)(H,22,23)/t12-,13?,14?/m1/s1
InChIKeyYFRHUXPCDNOEFS-IYXRBSQSSA-N
MW361.49 g/mol
LogP1.58
Rot. Bonds4

About N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide

N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide (PubChem CID 166985828) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide
PubChem CID166985828
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(n2c(NC(C)C)nc3c(c2=O)C[C@@H](C)NC3)CC1
InChIInChI=1S/C19H31N5O2/c1-11(2)22-19-23-16-10-21-12(3)9-15(16)18(26)24(19)14-7-5-13(6-8-14)17(25)20-4/h11-14,21H,5-10H2,1-4H3,(H,20,25)(H,22,23)/t12-,13?,14?/m1/s1
InChIKeyYFRHUXPCDNOEFS-IYXRBSQSSA-N
XLogP1.58
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide (CID 166985828) is N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide is CNC(=O)C1CCC(n2c(NC(C)C)nc3c(c2=O)C[C@@H](C)NC3)CC1.
What is the InChIKey of N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is YFRHUXPCDNOEFS-IYXRBSQSSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-11(2)22-19-23-16-10-21-12(3)9-15(16)18(26)24(19)14-7-5-13(6-8-14)17(25)20-4/h11-14,21H,5-10H2,1-4H3,(H,20,25)(H,22,23)/t12-,13?,14?/m1/s1.
What are the key properties of N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide?
N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 166985828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).