6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide

C13H20N4O — CID 112753159

IUPAC6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide
SMILESNCC1CCC(Nc2ccc(C(N)=O)cn2)CC1
InChIInChI=1S/C13H20N4O/c14-7-9-1-4-11(5-2-9)17-12-6-3-10(8-16-12)13(15)18/h3,6,8-9,11H,1-2,4-5,7,14H2,(H2,15,18)(H,16,17)
InChIKeyXBAHJJLNGZGMSI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.11
Rot. Bonds4

About 6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide

6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide (PubChem CID 112753159) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide
PubChem CID112753159
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide
SMILESNCC1CCC(Nc2ccc(C(N)=O)cn2)CC1
InChIInChI=1S/C13H20N4O/c14-7-9-1-4-11(5-2-9)17-12-6-3-10(8-16-12)13(15)18/h3,6,8-9,11H,1-2,4-5,7,14H2,(H2,15,18)(H,16,17)
InChIKeyXBAHJJLNGZGMSI-UHFFFAOYSA-N
XLogP1.11
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide
CID 58337929
6-(cyclopentylamino)pyridine-3-carboxamide
CID 112722808
6-(cyclohexylamino)pyridine-3-carboxamide;hydrochloride
CID 3031414
3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 63042064
6-[(3-phenylcyclopentyl)amino]pyridine-3-carboxamide
CID 126962294
tert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid
CID 67218167
6-[(2-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 79033721
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide
CID 113336597
6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide
CID 78990640
4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 158844038
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide (CID 112753159) is 6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide is NCC1CCC(Nc2ccc(C(N)=O)cn2)CC1.
What is the InChIKey of 6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide?
The InChIKey is XBAHJJLNGZGMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-7-9-1-4-11(5-2-9)17-12-6-3-10(8-16-12)13(15)18/h3,6,8-9,11H,1-2,4-5,7,14H2,(H2,15,18)(H,16,17).
What are the key properties of 6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide?
6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 112753159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).