2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide

C20H17F2N5O2 — CID 144842707

IUPAC2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1cncc(C2CC=NC(F)=C2F)c1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C20H17F2N5O2/c21-17-15(4-6-25-18(17)22)13-7-14(10-23-9-13)26-20(29)12-3-5-24-16(8-12)27-19(28)11-1-2-11/h3,5-11,15H,1-2,4H2,(H,26,29)(H,24,27,28)
InChIKeyHEDIDQSRFLTNPG-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.74
Rot. Bonds5

About 2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 144842707) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID144842707
Molecular FormulaC20H17F2N5O2
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1cncc(C2CC=NC(F)=C2F)c1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C20H17F2N5O2/c21-17-15(4-6-25-18(17)22)13-7-14(10-23-9-13)26-20(29)12-3-5-24-16(8-12)27-19(28)11-1-2-11/h3,5-11,15H,1-2,4H2,(H,26,29)(H,24,27,28)
InChIKeyHEDIDQSRFLTNPG-UHFFFAOYSA-N
XLogP3.74
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 118071000
2-(cyclopropanecarbonylamino)-N-quinolin-3-ylpyridine-4-carboxamide
CID 118071036
2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 118065419
2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 118064448
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide
CID 118071052
2-(cyclopropanecarbonylamino)-N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-4-carboxamide
CID 138989575
4-N-(5-cyclobutyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 141453014
2-(cyclopropanecarbonylamino)-N-(1-methylimidazol-4-yl)pyridine-4-carboxamide
CID 118065444
N-(2-amino-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155516197
2-(cyclopropanecarbonylamino)-N-[4-(cyclopropylmethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118070965
2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-3-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxyethyl]pyridine-4-carboxamide
CID 163579138
2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67509417

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 144842707) is 2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide is O=C(Nc1cncc(C2CC=NC(F)=C2F)c1)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is HEDIDQSRFLTNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2/c21-17-15(4-6-25-18(17)22)13-7-14(10-23-9-13)26-20(29)12-3-5-24-16(8-12)27-19(28)11-1-2-11/h3,5-11,15H,1-2,4H2,(H,26,29)(H,24,27,28).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 144842707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).