6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide

C20H21ClFN3O — CID 59843539

IUPAC6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
SMILESO=C(NCC1CCC1)c1cnc(Nc2ccc(F)cc2Cl)cc1C1CC1
InChIInChI=1S/C20H21ClFN3O/c21-17-8-14(22)6-7-18(17)25-19-9-15(13-4-5-13)16(11-23-19)20(26)24-10-12-2-1-3-12/h6-9,11-13H,1-5,10H2,(H,23,25)(H,24,26)
InChIKeyRXDSMWYJZUAHGK-UHFFFAOYSA-N
MW373.86 g/mol
LogP5.03
Rot. Bonds6

About 6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide

6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide (PubChem CID 59843539) has the molecular formula C20H21ClFN3O and a molecular weight of 373.86 g/mol. Its IUPAC name is 6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
PubChem CID59843539
Molecular FormulaC20H21ClFN3O
Molecular Weight373.86 g/mol
Exact Mass373.14
IUPAC Name6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
SMILESO=C(NCC1CCC1)c1cnc(Nc2ccc(F)cc2Cl)cc1C1CC1
InChIInChI=1S/C20H21ClFN3O/c21-17-8-14(22)6-7-18(17)25-19-9-15(13-4-5-13)16(11-23-19)20(26)24-10-12-2-1-3-12/h6-9,11-13H,1-5,10H2,(H,23,25)(H,24,26)
InChIKeyRXDSMWYJZUAHGK-UHFFFAOYSA-N
XLogP5.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.86
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chloro-2-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11187954
6-(3-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11164693
6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11233590
N-(cyclopentylmethyl)-6-(2,4-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44570611
6-(4-bromo-2-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 59843503
N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 11750036
6-[2-bromo-4-(trifluoromethoxy)anilino]-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 59843529
6-(5-chloro-2-hydroxyanilino)-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355695
6-(3-chloroanilino)-4-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
CID 11339145
6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731760
2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline
CID 61343734
6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 69369776

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide (CID 59843539) is 6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide is O=C(NCC1CCC1)c1cnc(Nc2ccc(F)cc2Cl)cc1C1CC1.
What is the InChIKey of 6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide?
The InChIKey is RXDSMWYJZUAHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O/c21-17-8-14(22)6-7-18(17)25-19-9-15(13-4-5-13)16(11-23-19)20(26)24-10-12-2-1-3-12/h6-9,11-13H,1-5,10H2,(H,23,25)(H,24,26).
What are the key properties of 6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide?
6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide has a molecular weight of 373.86 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 59843539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).