N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide

C17H18N4O2 — CID 175378165

IUPACN-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide
SMILESC=CC(=O)NCCCNC(=O)c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C17H18N4O2/c1-2-16(22)19-10-5-11-20-17(23)13-7-8-15(21-12-13)14-6-3-4-9-18-14/h2-4,6-9,12H,1,5,10-11H2,(H,19,22)(H,20,23)
InChIKeyPSUHADZBNMZMSL-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.57
Rot. Bonds7

About N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide

N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 175378165) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide
PubChem CID175378165
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide
SMILESC=CC(=O)NCCCNC(=O)c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C17H18N4O2/c1-2-16(22)19-10-5-11-20-17(23)13-7-8-15(21-12-13)14-6-3-4-9-18-14/h2-4,6-9,12H,1,5,10-11H2,(H,19,22)(H,20,23)
InChIKeyPSUHADZBNMZMSL-UHFFFAOYSA-N
XLogP1.57
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 10361759
6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide
CID 102089949
6-[[[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]-(pyridin-2-ylmethyl)amino]methyl]-N-[2-(prop-2-enoylamino)ethyl]pyridine-3-carboxamide
CID 59307246
3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide
CID 102336709
N-(4-oxobutyl)-4-pyridin-2-ylbenzamide
CID 86091874
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
1-methyl-3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridin-1-ium-3,5-dicarboxamide
CID 102336713
N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide
CID 10149325
N-(oxolan-2-ylmethyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681810
6-phenyl-N-prop-2-enylpyridine-3-carboxamide
CID 110683620
N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide
CID 110464861
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628

Frequently Asked Questions

What is the IUPAC name of N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide (CID 175378165) is N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide is C=CC(=O)NCCCNC(=O)c1ccc(-c2ccccn2)nc1.
What is the InChIKey of N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is PSUHADZBNMZMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-16(22)19-10-5-11-20-17(23)13-7-8-15(21-12-13)14-6-3-4-9-18-14/h2-4,6-9,12H,1,5,10-11H2,(H,19,22)(H,20,23).
What are the key properties of N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide?
N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 175378165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).