6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide

C16H19F2N6OP — CID 169247513

IUPAC6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C(F)F)cc(N)n2)cc1NC1CC1P
InChIInChI=1S/C16H19F2N6OP/c1-20-16(25)8-6-21-13(5-9(8)22-10-4-11(10)26)24-14-3-7(15(17)18)2-12(19)23-14/h2-3,5-6,10-11,15H,4,26H2,1H3,(H,20,25)(H4,19,21,22,23,24)
InChIKeyXSBIIQBQTJBVFG-UHFFFAOYSA-N
MW380.34 g/mol
LogP2.53
Rot. Bonds6

About 6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide

6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide (PubChem CID 169247513) has the molecular formula C16H19F2N6OP and a molecular weight of 380.34 g/mol. Its IUPAC name is 6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide
PubChem CID169247513
Molecular FormulaC16H19F2N6OP
Molecular Weight380.34 g/mol
Exact Mass380.13
IUPAC Name6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C(F)F)cc(N)n2)cc1NC1CC1P
InChIInChI=1S/C16H19F2N6OP/c1-20-16(25)8-6-21-13(5-9(8)22-10-4-11(10)26)24-14-3-7(15(17)18)2-12(19)23-14/h2-3,5-6,10-11,15H,4,26H2,1H3,(H,20,25)(H4,19,21,22,23,24)
InChIKeyXSBIIQBQTJBVFG-UHFFFAOYSA-N
XLogP2.53
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 121284898
4-[[(1R,2S)-2-carbamoylcyclohexyl]amino]-6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-N-methylpyridine-3-carboxamide
CID 118473499
N-methyl-4,6-bis(methylamino)pyridine-3-carboxamide
CID 118473539
4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 121285006
tert-butyl 6-[[6-[[6-amino-2-(difluoromethyl)pyrimidin-4-yl]amino]-4-(ethylamino)pyridine-3-carbonyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 169247467
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfanylanilino)pyridine-3-carboxamide
CID 155534361
CID 144625109
CID 144625109
6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide
CID 118410835
6-amino-N,4-dimethylpyridine-3-carboxamide
CID 131967585
4-[[2-[(5-fluoro-2-pyridinyl)amino]-5-(methylcarbamoyl)-4-pyridinyl]amino]-3-methoxybenzoic acid
CID 90154018
4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide
CID 118473464
N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473468

Frequently Asked Questions

What is the IUPAC name of 6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide (CID 169247513) is 6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C(F)F)cc(N)n2)cc1NC1CC1P.
What is the InChIKey of 6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide?
The InChIKey is XSBIIQBQTJBVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N6OP/c1-20-16(25)8-6-21-13(5-9(8)22-10-4-11(10)26)24-14-3-7(15(17)18)2-12(19)23-14/h2-3,5-6,10-11,15H,4,26H2,1H3,(H,20,25)(H4,19,21,22,23,24).
What are the key properties of 6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide?
6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide has a molecular weight of 380.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-amino-4-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(2-phosphanylcyclopropyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 169247513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).