N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide

C15H15N3OS — CID 53145071

IUPACN-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
SMILESCn1cc(CCNC(=O)c2cccs2)c2cccnc21
InChIInChI=1S/C15H15N3OS/c1-18-10-11(12-4-2-7-16-14(12)18)6-8-17-15(19)13-5-3-9-20-13/h2-5,7,9-10H,6,8H2,1H3,(H,17,19)
InChIKeyYSLOZZHZYVJQRF-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.61
Rot. Bonds4

About N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide

N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 53145071) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID53145071
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
SMILESCn1cc(CCNC(=O)c2cccs2)c2cccnc21
InChIInChI=1S/C15H15N3OS/c1-18-10-11(12-4-2-7-16-14(12)18)6-8-17-15(19)13-5-3-9-20-13/h2-5,7,9-10H,6,8H2,1H3,(H,17,19)
InChIKeyYSLOZZHZYVJQRF-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 53144596
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide
CID 146108760
2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
CID 53145002
1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 53144575
2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145052
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide
CID 53144756
N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144367
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 53145112
2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide
CID 53145144
N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine
CID 82653823
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
CID 53145138
N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110731525

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide (CID 53145071) is N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide is Cn1cc(CCNC(=O)c2cccs2)c2cccnc21.
What is the InChIKey of N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is YSLOZZHZYVJQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-18-10-11(12-4-2-7-16-14(12)18)6-8-17-15(19)13-5-3-9-20-13/h2-5,7,9-10H,6,8H2,1H3,(H,17,19).
What are the key properties of N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 53145071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).