N-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide

C22H22FN5O2 — CID 162492457

IUPACN-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide
SMILESCc1ccc(CCCC(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3N)nc2)cn1
InChIInChI=1S/C22H22FN5O2/c1-14-5-6-15(12-25-14)3-2-4-21(29)27-17-8-10-20(26-13-17)22(30)28-19-9-7-16(23)11-18(19)24/h5-13H,2-4,24H2,1H3,(H,27,29)(H,28,30)
InChIKeySAYCIHPRHGPSJI-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.72
Rot. Bonds7

About N-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide

N-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide (PubChem CID 162492457) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide
PubChem CID162492457
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC NameN-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide
SMILESCc1ccc(CCCC(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3N)nc2)cn1
InChIInChI=1S/C22H22FN5O2/c1-14-5-6-15(12-25-14)3-2-4-21(29)27-17-8-10-20(26-13-17)22(30)28-19-9-7-16(23)11-18(19)24/h5-13H,2-4,24H2,1H3,(H,27,29)(H,28,30)
InChIKeySAYCIHPRHGPSJI-UHFFFAOYSA-N
XLogP3.72
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide (CID 162492457) is N-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide is Cc1ccc(CCCC(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3N)nc2)cn1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide?
The InChIKey is SAYCIHPRHGPSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-14-5-6-15(12-25-14)3-2-4-21(29)27-17-8-10-20(26-13-17)22(30)28-19-9-7-16(23)11-18(19)24/h5-13H,2-4,24H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide?
N-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide is sourced from PubChem (CID 162492457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).