4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide

C16H20N4O — CID 62172972

IUPAC4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C16H20N4O/c1-2-8-17-14-7-10-19-15(12-14)16(21)20-11-6-13-5-3-4-9-18-13/h3-5,7,9-10,12H,2,6,8,11H2,1H3,(H,17,19)(H,20,21)
InChIKeyKAFPMSGFCZCKKB-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.27
Rot. Bonds7

About 4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide

4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide (PubChem CID 62172972) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
PubChem CID62172972
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C16H20N4O/c1-2-8-17-14-7-10-19-15(12-14)16(21)20-11-6-13-5-3-4-9-18-13/h3-5,7,9-10,12H,2,6,8,11H2,1H3,(H,17,19)(H,20,21)
InChIKeyKAFPMSGFCZCKKB-UHFFFAOYSA-N
XLogP2.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62172971
N-[2-(2-fluorophenyl)ethyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212815
4-(propylamino)-N-pyridin-2-ylpyridine-2-carboxamide
CID 55042694
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62172967
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109213953
4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109207906
N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109206050
N-(2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166215
N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide
CID 62168705
4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212673
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide (CID 62172972) is 4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)NCCc2ccccn2)c1.
What is the InChIKey of 4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is KAFPMSGFCZCKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-8-17-14-7-10-19-15(12-14)16(21)20-11-6-13-5-3-4-9-18-13/h3-5,7,9-10,12H,2,6,8,11H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide?
4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62172972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).