N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide

C22H31N5O3 — CID 137297111

IUPACN-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2cc(CCN(C)C)ccn2)[nH]c(=O)c1O)C1CCCCC1
InChIInChI=1S/C22H31N5O3/c1-14(16-7-5-4-6-8-16)24-21(29)18-19(28)22(30)26-20(25-18)17-13-15(9-11-23-17)10-12-27(2)3/h9,11,13-14,16,28H,4-8,10,12H2,1-3H3,(H,24,29)(H,25,26,30)/t14-/m1/s1
InChIKeyHYEGCJOTNJDXMU-CQSZACIVSA-N
MW413.52 g/mol
LogP2.34
Rot. Bonds7

About N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide

N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137297111) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137297111
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC NameN-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2cc(CCN(C)C)ccn2)[nH]c(=O)c1O)C1CCCCC1
InChIInChI=1S/C22H31N5O3/c1-14(16-7-5-4-6-8-16)24-21(29)18-19(28)22(30)26-20(25-18)17-13-15(9-11-23-17)10-12-27(2)3/h9,11,13-14,16,28H,4-8,10,12H2,1-3H3,(H,24,29)(H,25,26,30)/t14-/m1/s1
InChIKeyHYEGCJOTNJDXMU-CQSZACIVSA-N
XLogP2.34
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid
CID 137296976
N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-(5-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137297033
[6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid
CID 137297093
N-(1-cyclohexylethyl)-5-hydroxy-2-(6-methoxy-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137297015
N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137297084
N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 132516828
N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
CID 55069124
N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
CID 58368059
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
5-hydroxy-N-(4-methylphenyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593198
N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43400571
5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
CID 58368118

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide (CID 137297111) is N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide is C[C@@H](NC(=O)c1nc(-c2cc(CCN(C)C)ccn2)[nH]c(=O)c1O)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is HYEGCJOTNJDXMU-CQSZACIVSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-14(16-7-5-4-6-8-16)24-21(29)18-19(28)22(30)26-20(25-18)17-13-15(9-11-23-17)10-12-27(2)3/h9,11,13-14,16,28H,4-8,10,12H2,1-3H3,(H,24,29)(H,25,26,30)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137297111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).