4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide

C11H15ClFN3O — CID 59406910

IUPAC4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)N[C@@H]2CCNC[C@@H]2F)cc1Cl
InChIInChI=1S/C11H15ClFN3O/c1-6-7(12)4-10(15-6)11(17)16-9-2-3-14-5-8(9)13/h4,8-9,14-15H,2-3,5H2,1H3,(H,16,17)/t8-,9+/m0/s1
InChIKeyGZDVXHBWAQUGAW-DTWKUNHWSA-N
MW259.71 g/mol
LogP1.41
Rot. Bonds2

About 4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide

4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 59406910) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is 4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID59406910
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)N[C@@H]2CCNC[C@@H]2F)cc1Cl
InChIInChI=1S/C11H15ClFN3O/c1-6-7(12)4-10(15-6)11(17)16-9-2-3-14-5-8(9)13/h4,8-9,14-15H,2-3,5H2,1H3,(H,16,17)/t8-,9+/m0/s1
InChIKeyGZDVXHBWAQUGAW-DTWKUNHWSA-N
XLogP1.41
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Lazabemide
CID 71307
5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
CID 164620442
5-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 164626739
3-Chloro-2-methyl-6-piperidin-4-yl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 69179817
6-chloro-N-methylpyridine-2-carboxamide
CID 24903387
4,5-dichloro-N,1-dimethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide
CID 45814345
4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 47387088
N-(2-amino-2-oxoethyl)-4,5-dichloro-N,1-dimethylpyrrole-2-carboxamide
CID 53500805
N-(3-aminopropyl)-5-chloropyridine-2-carboxamide
CID 64396467
4,5-dichloro-N-[4-[3-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propylamino]butyl]-1H-pyrrole-2-carboxamide
CID 145956453
N-(2-aminoethyl)-5-(4-chloro-3-fluoro-phenyl)-1H-pyrrole-2-carboxamide
CID 118970234
5-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide
CID 166611598

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide (CID 59406910) is 4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide is Cc1[nH]c(C(=O)N[C@@H]2CCNC[C@@H]2F)cc1Cl.
What is the InChIKey of 4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is GZDVXHBWAQUGAW-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c1-6-7(12)4-10(15-6)11(17)16-9-2-3-14-5-8(9)13/h4,8-9,14-15H,2-3,5H2,1H3,(H,16,17)/t8-,9+/m0/s1.
What are the key properties of 4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide?
4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 259.71 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 59406910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).