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

C23H32N6O3 — CID 137297084

IUPACN-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2ccc(N3CCN(C)CC3)cn2)[nH]c(=O)c1O)C1CCCCC1
InChIInChI=1S/C23H32N6O3/c1-15(16-6-4-3-5-7-16)25-22(31)19-20(30)23(32)27-21(26-19)18-9-8-17(14-24-18)29-12-10-28(2)11-13-29/h8-9,14-16,30H,3-7,10-13H2,1-2H3,(H,25,31)(H,26,27,32)/t15-/m1/s1
InChIKeyHDTNTPQDGXWPOR-OAHLLOKOSA-N
MW440.55 g/mol
LogP1.99
Rot. Bonds5

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

N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137297084) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137297084
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC NameN-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2ccc(N3CCN(C)CC3)cn2)[nH]c(=O)c1O)C1CCCCC1
InChIInChI=1S/C23H32N6O3/c1-15(16-6-4-3-5-7-16)25-22(31)19-20(30)23(32)27-21(26-19)18-9-8-17(14-24-18)29-12-10-28(2)11-13-29/h8-9,14-16,30H,3-7,10-13H2,1-2H3,(H,25,31)(H,26,27,32)/t15-/m1/s1
InChIKeyHDTNTPQDGXWPOR-OAHLLOKOSA-N
XLogP1.99
TPSA114.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

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
2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid
CID 137296976
N-(1-cyclohexylethyl)-5-hydroxy-2-(6-methoxy-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137297015
N-[(1R)-1-cyclohexylethyl]-2-[4-[2-(dimethylamino)ethyl]-2-pyridinyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 137297111
N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 143609284
N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde
CID 143609282
N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 132516828
N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43400571
3-chloro-N-(1-cyclohexylethyl)-6-hydrazinylpyridine-2-carboxamide
CID 62406912
N-(1-cyclohexylethyl)-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 122565554
N-(1-cyclobutylethyl)-1H-indazole-3-carboxamide
CID 113338562

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 137297084) is N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide is C[C@@H](NC(=O)c1nc(-c2ccc(N3CCN(C)CC3)cn2)[nH]c(=O)c1O)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is HDTNTPQDGXWPOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-15(16-6-4-3-5-7-16)25-22(31)19-20(30)23(32)27-21(26-19)18-9-8-17(14-24-18)29-12-10-28(2)11-13-29/h8-9,14-16,30H,3-7,10-13H2,1-2H3,(H,25,31)(H,26,27,32)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137297084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).