N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide

C19H22N4O2 — CID 119893878

IUPACN-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide
SMILESNC1CCCC(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)C1
InChIInChI=1S/C19H22N4O2/c20-15-8-4-7-14(11-15)19(25)22-16-9-10-17(21-12-16)23-18(24)13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14-15H,4,7-8,11,20H2,(H,22,25)(H,21,23,24)
InChIKeyHTRIZDPUJNVNNK-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.79
Rot. Bonds4

About N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide

N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide (PubChem CID 119893878) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide
PubChem CID119893878
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide
SMILESNC1CCCC(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)C1
InChIInChI=1S/C19H22N4O2/c20-15-8-4-7-14(11-15)19(25)22-16-9-10-17(21-12-16)23-18(24)13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14-15H,4,7-8,11,20H2,(H,22,25)(H,21,23,24)
InChIKeyHTRIZDPUJNVNNK-UHFFFAOYSA-N
XLogP2.79
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(6-benzamido-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119893876
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
CID 119709587
N-(6-benzamido-3-pyridinyl)piperidine-4-carboxamide
CID 119893870
2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 167935918
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119698530
3-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 63043411
3-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
CID 119673239
3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide
CID 119794511
N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide
CID 124883118
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide?
The IUPAC name of N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide (CID 119893878) is N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide?
The canonical SMILES for N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide is NC1CCCC(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)C1.
What is the InChIKey of N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide?
The InChIKey is HTRIZDPUJNVNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-15-8-4-7-14(11-15)19(25)22-16-9-10-17(21-12-16)23-18(24)13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14-15H,4,7-8,11,20H2,(H,22,25)(H,21,23,24).
What are the key properties of N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide?
N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 119893878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).