N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide

C22H28N4O2 — CID 23912725

IUPACN-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCC(CN)C2)cc1NC(=O)c1cccnc1
InChIInChI=1S/C22H28N4O2/c1-15-7-8-18(11-20(15)26-22(28)19-6-3-9-24-14-19)21(27)25-13-17-5-2-4-16(10-17)12-23/h3,6-9,11,14,16-17H,2,4-5,10,12-13,23H2,1H3,(H,25,27)(H,26,28)
InChIKeyFXSFOXCCRQWXSJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.14
Rot. Bonds6

About N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide

N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 23912725) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID23912725
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCC(CN)C2)cc1NC(=O)c1cccnc1
InChIInChI=1S/C22H28N4O2/c1-15-7-8-18(11-20(15)26-22(28)19-6-3-9-24-14-19)21(27)25-13-17-5-2-4-16(10-17)12-23/h3,6-9,11,14,16-17H,2,4-5,10,12-13,23H2,1H3,(H,25,27)(H,26,28)
InChIKeyFXSFOXCCRQWXSJ-UHFFFAOYSA-N
XLogP3.14
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide
CID 23994184
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 23906553
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374
N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 23965170
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065
N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide
CID 136555118
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 2209331
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111055623
N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 136534622
N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
CID 47156864

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide (CID 23912725) is N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCC2CCCC(CN)C2)cc1NC(=O)c1cccnc1.
What is the InChIKey of N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is FXSFOXCCRQWXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15-7-8-18(11-20(15)26-22(28)19-6-3-9-24-14-19)21(27)25-13-17-5-2-4-16(10-17)12-23/h3,6-9,11,14,16-17H,2,4-5,10,12-13,23H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 23912725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).