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;hydrochloride

C19H32ClN5O2 — CID 175734170

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;hydrochloride
SMILESCNC(=O)C1CCC(n2c(NC(C)C)nc3c(c2=O)C[C@@H](C)NC3)CC1.Cl
InChIInChI=1S/C19H31N5O2.ClH/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);1H/t12-,13?,14?;/m1./s1
InChIKeyGMLMLPOZRPNELR-RVZICEMDSA-N
MW397.95 g/mol
LogP2.00
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;hydrochloride

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;hydrochloride (PubChem CID 175734170) has the molecular formula C19H32ClN5O2 and a molecular weight of 397.95 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;hydrochloride.

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;hydrochloride
PubChem CID175734170
Molecular FormulaC19H32ClN5O2
Molecular Weight397.95 g/mol
Exact Mass397.22
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;hydrochloride
SMILESCNC(=O)C1CCC(n2c(NC(C)C)nc3c(c2=O)C[C@@H](C)NC3)CC1.Cl
InChIInChI=1S/C19H31N5O2.ClH/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);1H/t12-,13?,14?;/m1./s1
InChIKeyGMLMLPOZRPNELR-RVZICEMDSA-N
XLogP2.00
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 52.00
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;hydrochloride?
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;hydrochloride (CID 175734170) 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;hydrochloride.
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;hydrochloride?
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;hydrochloride is CNC(=O)C1CCC(n2c(NC(C)C)nc3c(c2=O)C[C@@H](C)NC3)CC1.Cl.
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;hydrochloride?
The InChIKey is GMLMLPOZRPNELR-RVZICEMDSA-N. The full InChI is InChI=1S/C19H31N5O2.ClH/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);1H/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;hydrochloride?
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;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 2.00, 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;hydrochloride is sourced from PubChem (CID 175734170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).