2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide

C8H8ClN3O — CID 144725411

IUPAC2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide
SMILESC=C(Nc1ccc(Cl)cn1)C(N)=O
InChIInChI=1S/C8H8ClN3O/c1-5(8(10)13)12-7-3-2-6(9)4-11-7/h2-4H,1H2,(H2,10,13)(H,11,12)
InChIKeyCLPCADIAOXUKKT-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.15
Rot. Bonds3

About 2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide

2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide (PubChem CID 144725411) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide
PubChem CID144725411
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide
SMILESC=C(Nc1ccc(Cl)cn1)C(N)=O
InChIInChI=1S/C8H8ClN3O/c1-5(8(10)13)12-7-3-2-6(9)4-11-7/h2-4H,1H2,(H2,10,13)(H,11,12)
InChIKeyCLPCADIAOXUKKT-UHFFFAOYSA-N
XLogP1.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-pyridinyl)oxamide;hydrochloride
CID 22934756
N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid
CID 175200549
N-(5-chloro-2-pyridinyl)prop-2-enamide
CID 43616360
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
1-(5-chloro-2-pyridinyl)-3-ethenylurea
CID 108909366
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide
CID 113308872

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide (CID 144725411) is 2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide is C=C(Nc1ccc(Cl)cn1)C(N)=O.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide?
The InChIKey is CLPCADIAOXUKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-5(8(10)13)12-7-3-2-6(9)4-11-7/h2-4H,1H2,(H2,10,13)(H,11,12).
What are the key properties of 2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide?
2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide has a molecular weight of 197.62 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide is sourced from PubChem (CID 144725411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).