3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide

C19H29N5O2 — CID 16622915

IUPAC3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H29N5O2/c25-18(10-11-20-19(26)23-15-6-2-1-3-7-15)22-16-8-9-17(21-14-16)24-12-4-5-13-24/h8-9,14-15H,1-7,10-13H2,(H,22,25)(H2,20,23,26)
InChIKeyAURKTWIOKKTSBR-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.64
Rot. Bonds6

About 3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide

3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide (PubChem CID 16622915) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
PubChem CID16622915
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H29N5O2/c25-18(10-11-20-19(26)23-15-6-2-1-3-7-15)22-16-8-9-17(21-14-16)24-12-4-5-13-24/h8-9,14-15H,1-7,10-13H2,(H,22,25)(H2,20,23,26)
InChIKeyAURKTWIOKKTSBR-UHFFFAOYSA-N
XLogP2.64
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47140496
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide
CID 50842589
1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 75461240
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea
CID 113011163
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
6-amino-N-(6-piperidin-1-yl-3-pyridinyl)hexanamide
CID 43704579
N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide
CID 50842318
3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 166259419

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide (CID 16622915) is 3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide is O=C(CCNC(=O)NC1CCCCC1)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The InChIKey is AURKTWIOKKTSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-18(10-11-20-19(26)23-15-6-2-1-3-7-15)22-16-8-9-17(21-14-16)24-12-4-5-13-24/h8-9,14-15H,1-7,10-13H2,(H,22,25)(H2,20,23,26).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide has a molecular weight of 359.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 16622915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).