N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide

C20H26N4OS — CID 29153043

IUPACN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)c1ccc([C@@H]2CCCN2)s1
InChIInChI=1S/C20H26N4OS/c25-20(19-7-6-18(26-19)17-5-3-11-22-17)23-15-8-12-24(13-9-15)14-16-4-1-2-10-21-16/h1-2,4,6-7,10,15,17,22H,3,5,8-9,11-14H2,(H,23,25)/t17-/m0/s1
InChIKeyBCYQDOPPALCWEJ-KRWDZBQOSA-N
MW370.52 g/mol
LogP2.96
Rot. Bonds5

About N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 29153043) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID29153043
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)c1ccc([C@@H]2CCCN2)s1
InChIInChI=1S/C20H26N4OS/c25-20(19-7-6-18(26-19)17-5-3-11-22-17)23-15-8-12-24(13-9-15)14-16-4-1-2-10-21-16/h1-2,4,6-7,10,15,17,22H,3,5,8-9,11-14H2,(H,23,25)/t17-/m0/s1
InChIKeyBCYQDOPPALCWEJ-KRWDZBQOSA-N
XLogP2.96
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
N-pyridin-2-yl-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45236193
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058964
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78901581
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
2-benzamido-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858991
2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 55859618
3,4,6-trichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 55857963

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide (CID 29153043) is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide is O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc([C@@H]2CCCN2)s1.
What is the InChIKey of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is BCYQDOPPALCWEJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-20(19-7-6-18(26-19)17-5-3-11-22-17)23-15-8-12-24(13-9-15)14-16-4-1-2-10-21-16/h1-2,4,6-7,10,15,17,22H,3,5,8-9,11-14H2,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide?
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 29153043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).