N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide

C22H24N4OS — CID 42857505

IUPACN-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCN(Cc3ccccc3)CC2)nc1)c1cccs1
InChIInChI=1S/C22H24N4OS/c27-22(20-8-4-15-28-20)24-19-9-10-21(23-16-19)26-12-5-11-25(13-14-26)17-18-6-2-1-3-7-18/h1-4,6-10,15-16H,5,11-14,17H2,(H,24,27)
InChIKeyRKDYMAGLJQIPNR-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.11
Rot. Bonds5

About N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide

N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 42857505) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide
PubChem CID42857505
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCN(Cc3ccccc3)CC2)nc1)c1cccs1
InChIInChI=1S/C22H24N4OS/c27-22(20-8-4-15-28-20)24-19-9-10-21(23-16-19)26-12-5-11-25(13-14-26)17-18-6-2-1-3-7-18/h1-4,6-10,15-16H,5,11-14,17H2,(H,24,27)
InChIKeyRKDYMAGLJQIPNR-UHFFFAOYSA-N
XLogP4.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053831
N-[6-[4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]thiophene-2-carboxamide
CID 42857512
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 46042185
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 42857527
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-phenoxyacetamide
CID 46054009
3,5-difluoro-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 46053960
(2R)-N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 92987360
3,5-difluoro-N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 46053951
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 42933399
N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46053082
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 113013734

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide (CID 42857505) is N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(N2CCCN(Cc3ccccc3)CC2)nc1)c1cccs1.
What is the InChIKey of N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is RKDYMAGLJQIPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c27-22(20-8-4-15-28-20)24-19-9-10-21(23-16-19)26-12-5-11-25(13-14-26)17-18-6-2-1-3-7-18/h1-4,6-10,15-16H,5,11-14,17H2,(H,24,27).
What are the key properties of N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 42857505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).