6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide

C16H17ClFN4O2P — CID 170125435

IUPAC6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(F)c(Cl)nc1N(C=O)c1c(P)ccnc1C(C)C
InChIInChI=1S/C16H17ClFN4O2P/c1-8(2)12-13(11(25)4-5-20-12)22(7-23)15-9(16(24)19-3)6-10(18)14(17)21-15/h4-8H,25H2,1-3H3,(H,19,24)
InChIKeySSAXKCOFOCGZQK-UHFFFAOYSA-N
MW382.76 g/mol
LogP2.55
Rot. Bonds5

About 6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide

6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 170125435) has the molecular formula C16H17ClFN4O2P and a molecular weight of 382.76 g/mol. Its IUPAC name is 6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID170125435
Molecular FormulaC16H17ClFN4O2P
Molecular Weight382.76 g/mol
Exact Mass382.08
IUPAC Name6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(F)c(Cl)nc1N(C=O)c1c(P)ccnc1C(C)C
InChIInChI=1S/C16H17ClFN4O2P/c1-8(2)12-13(11(25)4-5-20-12)22(7-23)15-9(16(24)19-3)6-10(18)14(17)21-15/h4-8H,25H2,1-3H3,(H,19,24)
InChIKeySSAXKCOFOCGZQK-UHFFFAOYSA-N
XLogP2.55
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium
CID 163245004
5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide
CID 170125715
N-(5,6-dichloro-3-formyl-2-pyridinyl)-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide;N-methylmethanamine
CID 142482296
2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 135379062
2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 159916760
N-[6-(2,4-difluoro-5-methoxyphenyl)-5-fluoro-3-[N-methyl-C-(2-methyl-4-prop-2-enoylpiperazin-1-yl)carbonimidoyl]-2-pyridinyl]-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide
CID 170282409
3-[6-chloro-5-fluoro-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-2-nitro-3-oxopropanoic acid
CID 172702368
N-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
CID 156678411
N-[6-(2-amino-6-fluorophenyl)-5-fluoro-3-[N-methyl-C-(2-methyl-4-prop-2-enoylpiperazin-1-yl)carbonimidoyl]-2-pyridinyl]-N-(4-methyl-2-propan-2-yl-3-pyridinyl)formamide
CID 170282455
2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 154989331
2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 174269915
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 170125435) is 6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(F)c(Cl)nc1N(C=O)c1c(P)ccnc1C(C)C.
What is the InChIKey of 6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is SSAXKCOFOCGZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN4O2P/c1-8(2)12-13(11(25)4-5-20-12)22(7-23)15-9(16(24)19-3)6-10(18)14(17)21-15/h4-8H,25H2,1-3H3,(H,19,24).
What are the key properties of 6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 382.76 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 170125435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).