N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide

C18H22N4O2S — CID 37482217

IUPACN-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H22N4O2S/c23-17(5-7-19-18(24)15-6-10-25-13-15)21-12-14-3-4-16(20-11-14)22-8-1-2-9-22/h3-4,6,10-11,13H,1-2,5,7-9,12H2,(H,19,24)(H,21,23)
InChIKeyPFDJMGKXLVTMRI-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.18
Rot. Bonds7

About N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide

N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide (PubChem CID 37482217) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide
PubChem CID37482217
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H22N4O2S/c23-17(5-7-19-18(24)15-6-10-25-13-15)21-12-14-3-4-16(20-11-14)22-8-1-2-9-22/h3-4,6,10-11,13H,1-2,5,7-9,12H2,(H,19,24)(H,21,23)
InChIKeyPFDJMGKXLVTMRI-UHFFFAOYSA-N
XLogP2.18
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]-4-bromobenzamide
CID 55845967
4-chloro-N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butyl]benzamide
CID 37482931
4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399617
4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 37483127
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 56551816
N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55735754
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38527586
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 30832005
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide
CID 47043373

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide (CID 37482217) is N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide?
The InChIKey is PFDJMGKXLVTMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-17(5-7-19-18(24)15-6-10-25-13-15)21-12-14-3-4-16(20-11-14)22-8-1-2-9-22/h3-4,6,10-11,13H,1-2,5,7-9,12H2,(H,19,24)(H,21,23).
What are the key properties of N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide?
N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide is sourced from PubChem (CID 37482217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).