N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

C18H21N7OS — CID 55972123

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCCCC2)nc1)c1sccc1-n1cnnn1
InChIInChI=1S/C18H21N7OS/c26-18(17-15(7-10-27-17)25-13-21-22-23-25)20-12-14-5-6-16(19-11-14)24-8-3-1-2-4-9-24/h5-7,10-11,13H,1-4,8-9,12H2,(H,20,26)
InChIKeyGCRAVFMBXGJSKR-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.43
Rot. Bonds5

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 55972123) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID55972123
Molecular FormulaC18H21N7OS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCCCC2)nc1)c1sccc1-n1cnnn1
InChIInChI=1S/C18H21N7OS/c26-18(17-15(7-10-27-17)25-13-21-22-23-25)20-12-14-5-6-16(19-11-14)24-8-3-1-2-4-9-24/h5-7,10-11,13H,1-4,8-9,12H2,(H,20,26)
InChIKeyGCRAVFMBXGJSKR-UHFFFAOYSA-N
XLogP2.43
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55749896
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-(3-amino-2-methylpropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119995821
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086
pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 47187933
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55847000
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 119513985
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 55972123) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is O=C(NCc1ccc(N2CCCCCC2)nc1)c1sccc1-n1cnnn1.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is GCRAVFMBXGJSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c26-18(17-15(7-10-27-17)25-13-21-22-23-25)20-12-14-5-6-16(19-11-14)24-8-3-1-2-4-9-24/h5-7,10-11,13H,1-4,8-9,12H2,(H,20,26).
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 55972123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).