N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide

C16H24N4O2 — CID 56791594

IUPACN-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCCC(NC(=O)Nc2cccnc2)C1
InChIInChI=1S/C16H24N4O2/c1-11(2)18-15(21)12-5-3-6-13(9-12)19-16(22)20-14-7-4-8-17-10-14/h4,7-8,10-13H,3,5-6,9H2,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyKANZSGIIVIKJLR-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.29
Rot. Bonds4

About N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide

N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide (PubChem CID 56791594) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide
PubChem CID56791594
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCCC(NC(=O)Nc2cccnc2)C1
InChIInChI=1S/C16H24N4O2/c1-11(2)18-15(21)12-5-3-6-13(9-12)19-16(22)20-14-7-4-8-17-10-14/h4,7-8,10-13H,3,5-6,9H2,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyKANZSGIIVIKJLR-UHFFFAOYSA-N
XLogP2.29
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63788700
trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97242772
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 59781432
6-N-propan-2-yl-1-N-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155871980
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627
N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide
CID 86962853
trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide
CID 97232196
4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
CID 86961225

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide (CID 56791594) is N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide is CC(C)NC(=O)C1CCCC(NC(=O)Nc2cccnc2)C1.
What is the InChIKey of N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide?
The InChIKey is KANZSGIIVIKJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(2)18-15(21)12-5-3-6-13(9-12)19-16(22)20-14-7-4-8-17-10-14/h4,7-8,10-13H,3,5-6,9H2,1-2H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide?
N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 56791594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).