1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide

C16H22N4O2 — CID 119879398

IUPAC1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CCCCC1
InChIInChI=1S/C16H22N4O2/c17-16(8-2-1-3-9-16)15(22)19-12-6-7-13(18-10-12)20-14(21)11-4-5-11/h6-7,10-11H,1-5,8-9,17H2,(H,19,22)(H,18,20,21)
InChIKeyLDUZRTATXNSMPV-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.03
Rot. Bonds4

About 1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide

1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 119879398) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide
PubChem CID119879398
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CCCCC1
InChIInChI=1S/C16H22N4O2/c17-16(8-2-1-3-9-16)15(22)19-12-6-7-13(18-10-12)20-14(21)11-4-5-11/h6-7,10-11H,1-5,8-9,17H2,(H,19,22)(H,18,20,21)
InChIKeyLDUZRTATXNSMPV-UHFFFAOYSA-N
XLogP2.03
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879397
1-amino-N-(6-fluoro-3-pyridinyl)cyclopentane-1-carboxamide
CID 103794921
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 119879406
N-[5-(cyclopropylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113023685
1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119842780
1-amino-N-(5-piperidin-1-yl-2-pyridinyl)cyclohexane-1-carboxamide
CID 119855685
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclohexane-1-carboxamide
CID 43704144
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119879391
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-(5-amino-2-pyridinyl)cycloheptanecarboxamide
CID 62586115

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide (CID 119879398) is 1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide is NC1(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CCCCC1.
What is the InChIKey of 1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is LDUZRTATXNSMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-16(8-2-1-3-9-16)15(22)19-12-6-7-13(18-10-12)20-14(21)11-4-5-11/h6-7,10-11H,1-5,8-9,17H2,(H,19,22)(H,18,20,21).
What are the key properties of 1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide?
1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119879398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).