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

C24H24ClFN4O — CID 162425950

IUPACN-[(2R)-butan-2-yl]-4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide
SMILESC=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)N[C@H](C)CC
InChIInChI=1S/C24H24ClFN4O/c1-5-15(4)29-24(31)19-12-27-9-8-21(19)30-23-11-22(28-13-18(23)14(2)3)17-10-16(25)6-7-20(17)26/h6-13,15H,2,5H2,1,3-4H3,(H,29,31)(H,27,28,30)/t15-/m1/s1
InChIKeyFIGRKDLMTBPIFC-OAHLLOKOSA-N
MW438.93 g/mol
LogP6.24
Rot. Bonds7

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

N-[(2R)-butan-2-yl]-4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 162425950) has the molecular formula C24H24ClFN4O and a molecular weight of 438.93 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID162425950
Molecular FormulaC24H24ClFN4O
Molecular Weight438.93 g/mol
Exact Mass438.16
IUPAC NameN-[(2R)-butan-2-yl]-4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide
SMILESC=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)N[C@H](C)CC
InChIInChI=1S/C24H24ClFN4O/c1-5-15(4)29-24(31)19-12-27-9-8-21(19)30-23-11-22(28-13-18(23)14(2)3)17-10-16(25)6-7-20(17)26/h6-13,15H,2,5H2,1,3-4H3,(H,29,31)(H,27,28,30)/t15-/m1/s1
InChIKeyFIGRKDLMTBPIFC-OAHLLOKOSA-N
XLogP6.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.93
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide (CID 162425950) is N-[(2R)-butan-2-yl]-4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide is C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)N[C@H](C)CC.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is FIGRKDLMTBPIFC-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H24ClFN4O/c1-5-15(4)29-24(31)19-12-27-9-8-21(19)30-23-11-22(28-13-18(23)14(2)3)17-10-16(25)6-7-20(17)26/h6-13,15H,2,5H2,1,3-4H3,(H,29,31)(H,27,28,30)/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
N-[(2R)-butan-2-yl]-4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 438.93 g/mol, XLogP of 6.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 162425950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).