N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide

C27H27ClN4O — CID 25190235

IUPACN-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
SMILESCc1cccc2c1c(C(=O)NCC1(c3ccc(Cl)cc3)CCCCC1)cn2-c1ncccn1
InChIInChI=1S/C27H27ClN4O/c1-19-7-5-8-23-24(19)22(17-32(23)26-29-15-6-16-30-26)25(33)31-18-27(13-3-2-4-14-27)20-9-11-21(28)12-10-20/h5-12,15-17H,2-4,13-14,18H2,1H3,(H,31,33)
InChIKeyKYMISPJLBMCXEX-UHFFFAOYSA-N
MW458.99 g/mol
LogP6.01
Rot. Bonds5

About N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide

N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide (PubChem CID 25190235) has the molecular formula C27H27ClN4O and a molecular weight of 458.99 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
PubChem CID25190235
Molecular FormulaC27H27ClN4O
Molecular Weight458.99 g/mol
Exact Mass458.19
IUPAC NameN-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
SMILESCc1cccc2c1c(C(=O)NCC1(c3ccc(Cl)cc3)CCCCC1)cn2-c1ncccn1
InChIInChI=1S/C27H27ClN4O/c1-19-7-5-8-23-24(19)22(17-32(23)26-29-15-6-16-30-26)25(33)31-18-27(13-3-2-4-14-27)20-9-11-21(28)12-10-20/h5-12,15-17H,2-4,13-14,18H2,1H3,(H,31,33)
InChIKeyKYMISPJLBMCXEX-UHFFFAOYSA-N
XLogP6.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.99
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69012384
4-chloro-N-[[1-[(3R)-3-methylpiperazin-1-yl]cycloheptyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 70972844
4-chloro-N-[[1-[(3S)-3-(propan-2-ylamino)piperidin-1-yl]cyclohexyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69082166
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
CID 69012733
4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide
CID 123805184
3-chloro-N-[(1-pyridin-3-ylcyclohexyl)methyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide
CID 59579878
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
N-[2-(6-methoxy-3-pyridinyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
CID 25190407
N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-2-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 25097390
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-methylbenzimidazole-4-carboxamide
CID 138999106

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide (CID 25190235) is N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide is Cc1cccc2c1c(C(=O)NCC1(c3ccc(Cl)cc3)CCCCC1)cn2-c1ncccn1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide?
The InChIKey is KYMISPJLBMCXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O/c1-19-7-5-8-23-24(19)22(17-32(23)26-29-15-6-16-30-26)25(33)31-18-27(13-3-2-4-14-27)20-9-11-21(28)12-10-20/h5-12,15-17H,2-4,13-14,18H2,1H3,(H,31,33).
What are the key properties of N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide?
N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide has a molecular weight of 458.99 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide is sourced from PubChem (CID 25190235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).