[4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid

C23H30N4O3 — CID 69026157

IUPAC[4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
SMILESCc1cc(C(=O)NCC2CCC(CNC(=O)O)CC2)cc(-c2ccc(CN)cc2)n1
InChIInChI=1S/C23H30N4O3/c1-15-10-20(11-21(27-15)19-8-6-16(12-24)7-9-19)22(28)25-13-17-2-4-18(5-3-17)14-26-23(29)30/h6-11,17-18,26H,2-5,12-14,24H2,1H3,(H,25,28)(H,29,30)
InChIKeyHWCNAVKAFAIKKM-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.32
Rot. Bonds7

About [4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid

[4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid (PubChem CID 69026157) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is [4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
PubChem CID69026157
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name[4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
SMILESCc1cc(C(=O)NCC2CCC(CNC(=O)O)CC2)cc(-c2ccc(CN)cc2)n1
InChIInChI=1S/C23H30N4O3/c1-15-10-20(11-21(27-15)19-8-6-16(12-24)7-9-19)22(28)25-13-17-2-4-18(5-3-17)14-26-23(29)30/h6-11,17-18,26H,2-5,12-14,24H2,1H3,(H,25,28)(H,29,30)
InChIKeyHWCNAVKAFAIKKM-UHFFFAOYSA-N
XLogP3.32
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid with MolForge

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Related Compounds

[4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 68875975
4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide
CID 113264057
2-amino-N-(cyclopropylmethyl)-6-propylpyridine-4-carboxamide
CID 113380957
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106124207
3-cyclohexyl-N-(cyclopropylmethyl)-5-(4-methylphenyl)benzamide
CID 58449390
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 25093473
2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide
CID 142018542
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-[3-[(carbamoylamino)methyl]phenyl]quinoline-4-carboxamide
CID 143825980
2-amino-N-(cyclopentylmethyl)-6-ethylpyridine-4-carboxamide
CID 113380993

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The IUPAC name of [4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid (CID 69026157) is [4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid.
What is the SMILES notation for [4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The canonical SMILES for [4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid is Cc1cc(C(=O)NCC2CCC(CNC(=O)O)CC2)cc(-c2ccc(CN)cc2)n1.
What is the InChIKey of [4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The InChIKey is HWCNAVKAFAIKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-15-10-20(11-21(27-15)19-8-6-16(12-24)7-9-19)22(28)25-13-17-2-4-18(5-3-17)14-26-23(29)30/h6-11,17-18,26H,2-5,12-14,24H2,1H3,(H,25,28)(H,29,30).
What are the key properties of [4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
[4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid has a molecular weight of 410.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-[4-(aminomethyl)phenyl]-6-methylpyridine-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid is sourced from PubChem (CID 69026157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).