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

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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).