N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide

C14H14ClN3OS — CID 31223583

IUPACN-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1ccc([C@H]2CCCN2)s1
InChIInChI=1S/C14H14ClN3OS/c15-13-10(4-2-8-17-13)18-14(19)12-6-5-11(20-12)9-3-1-7-16-9/h2,4-6,8-9,16H,1,3,7H2,(H,18,19)/t9-/m1/s1
InChIKeyVMABSZWRHUXXDE-SECBINFHSA-N
MW307.81 g/mol
LogP3.47
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide

N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 31223583) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID31223583
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC NameN-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1ccc([C@H]2CCCN2)s1
InChIInChI=1S/C14H14ClN3OS/c15-13-10(4-2-8-17-13)18-14(19)12-6-5-11(20-12)9-3-1-7-16-9/h2,4-6,8-9,16H,1,3,7H2,(H,18,19)/t9-/m1/s1
InChIKeyVMABSZWRHUXXDE-SECBINFHSA-N
XLogP3.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-2-yl-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45236193
5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
CID 31017599
methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate
CID 45251024
N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 166261329
N-(6-oxo-1H-pyridin-3-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166305537
N-(2-fluoroethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45208476
N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45178110
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide
CID 29153043
methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
CID 130001149
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45185745
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492
N-(2-chloro-3-pyridinyl)thiadiazole-5-carboxamide
CID 103622836

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide (CID 31223583) is N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide is O=C(Nc1cccnc1Cl)c1ccc([C@H]2CCCN2)s1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is VMABSZWRHUXXDE-SECBINFHSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-13-10(4-2-8-17-13)18-14(19)12-6-5-11(20-12)9-3-1-7-16-9/h2,4-6,8-9,16H,1,3,7H2,(H,18,19)/t9-/m1/s1.
What are the key properties of N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide?
N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 307.81 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 31223583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).