N-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide

C24H21N5O2 — CID 118724325

IUPACN-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)Nc2cccnc2Nc2ccccc2)cc1
InChIInChI=1S/C24H21N5O2/c1-31-19-13-11-18(12-14-19)27-22-20(9-5-15-25-22)24(30)29-21-10-6-16-26-23(21)28-17-7-3-2-4-8-17/h2-16H,1H3,(H,25,27)(H,26,28)(H,29,30)
InChIKeyKHISYPQRCAKRKE-UHFFFAOYSA-N
MW411.47 g/mol
LogP5.22
Rot. Bonds7

About N-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide

N-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide (PubChem CID 118724325) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
PubChem CID118724325
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)Nc2cccnc2Nc2ccccc2)cc1
InChIInChI=1S/C24H21N5O2/c1-31-19-13-11-18(12-14-19)27-22-20(9-5-15-25-22)24(30)29-21-10-6-16-26-23(21)28-17-7-3-2-4-8-17/h2-16H,1H3,(H,25,27)(H,26,28)(H,29,30)
InChIKeyKHISYPQRCAKRKE-UHFFFAOYSA-N
XLogP5.22
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Amg-487
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6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
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AMG-487 metabolite M2
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CID 463556
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CID 463557
5-Chloro-2-ethyl-9-methyl-13-(phenoxymethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470671
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2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide (CID 118724325) is N-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2ncccc2C(=O)Nc2cccnc2Nc2ccccc2)cc1.
What is the InChIKey of N-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is KHISYPQRCAKRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-31-19-13-11-18(12-14-19)27-22-20(9-5-15-25-22)24(30)29-21-10-6-16-26-23(21)28-17-7-3-2-4-8-17/h2-16H,1H3,(H,25,27)(H,26,28)(H,29,30).
What are the key properties of N-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide?
N-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 5.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-3-pyridinyl)-2-(4-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 118724325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).