4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide

C23H20ClFN4O — CID 118211095

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide
SMILESC=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC1CC1
InChIInChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
InChIKeyNRNOAZUAWDMPFI-UHFFFAOYSA-N
MW422.89 g/mol
LogP5.61
Rot. Bonds6

About 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 118211095) has the molecular formula C23H20ClFN4O and a molecular weight of 422.89 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide
PubChem CID118211095
Molecular FormulaC23H20ClFN4O
Molecular Weight422.89 g/mol
Exact Mass422.13
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide
SMILESC=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC1CC1
InChIInChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29)
InChIKeyNRNOAZUAWDMPFI-UHFFFAOYSA-N
XLogP5.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.89
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide with MolForge

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Related Compounds

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CID 9865384
Niaprazine
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CID 118211239
[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl](5-methyl-3-pyridinyl)methanone
CID 10365366
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CID 67120985
Pyrrolopyridine, 21
CID 16720091
8-(3-Chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one
CID 19700663
(3-Chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10024776
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-chlorophenyl)pyridine-2-carboxamide
CID 68187478
Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-ethylpyridin-4-ylamino)-N-(2-hydroxy propyl)nicotinamide
CID 91820701
Synthesis of N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]pyridine-3-carboxamide
CID 118211014
Synthesis of 4-{[2-(5-chloro-2-fluorophenyl)-5-(pyrrolidin-1-yl)pyridin-4-yl]amino}-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 118211070

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide (CID 118211095) is 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide is C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC1CC1.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is NRNOAZUAWDMPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide?
4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 422.89 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 118211095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).