1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide

C16H24N4O2 — CID 173090884

IUPAC1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(CCC(=O)NCc2ccc(N)nc2)CCCCC1
InChIInChI=1S/C16H24N4O2/c17-13-5-4-12(10-19-13)11-20-14(21)6-9-16(15(18)22)7-2-1-3-8-16/h4-5,10H,1-3,6-9,11H2,(H2,17,19)(H2,18,22)(H,20,21)
InChIKeyXMHAFZSKZILHBR-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.50
Rot. Bonds6

About 1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide

1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide (PubChem CID 173090884) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide
PubChem CID173090884
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(CCC(=O)NCc2ccc(N)nc2)CCCCC1
InChIInChI=1S/C16H24N4O2/c17-13-5-4-12(10-19-13)11-20-14(21)6-9-16(15(18)22)7-2-1-3-8-16/h4-5,10H,1-3,6-9,11H2,(H2,17,19)(H2,18,22)(H,20,21)
InChIKeyXMHAFZSKZILHBR-UHFFFAOYSA-N
XLogP1.50
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 173090462
2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide
CID 173090852
1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 76980113
1-[(6-amino-3-pyridinyl)methyl]-3-(4-bromophenyl)urea
CID 134813904
N-(6-amino-3-pyridinyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119515973
4-[3-[(1-carbamoylcyclopentyl)methylamino]-3-oxopropyl]benzoic acid
CID 119185599
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55749706
N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172882152
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119850314
4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide
CID 86819891
(2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide
CID 68996544
5-[(6-methyl-3-pyridinyl)methylamino]-5-oxopentanoic acid
CID 62996023

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide (CID 173090884) is 1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide is NC(=O)C1(CCC(=O)NCc2ccc(N)nc2)CCCCC1.
What is the InChIKey of 1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide?
The InChIKey is XMHAFZSKZILHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c17-13-5-4-12(10-19-13)11-20-14(21)6-9-16(15(18)22)7-2-1-3-8-16/h4-5,10H,1-3,6-9,11H2,(H2,17,19)(H2,18,22)(H,20,21).
What are the key properties of 1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide?
1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 173090884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).