N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide

C22H22N4O3S — CID 55903975

IUPACN-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCC(=O)NC(CC(=O)NCc1cccc(NC(=O)c2ccncc2)c1)c1cccs1
InChIInChI=1S/C22H22N4O3S/c1-15(27)25-19(20-6-3-11-30-20)13-21(28)24-14-16-4-2-5-18(12-16)26-22(29)17-7-9-23-10-8-17/h2-12,19H,13-14H2,1H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyRPRSHEQKEVROJG-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.28
Rot. Bonds8

About N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 55903975) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID55903975
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCC(=O)NC(CC(=O)NCc1cccc(NC(=O)c2ccncc2)c1)c1cccs1
InChIInChI=1S/C22H22N4O3S/c1-15(27)25-19(20-6-3-11-30-20)13-21(28)24-14-16-4-2-5-18(12-16)26-22(29)17-7-9-23-10-8-17/h2-12,19H,13-14H2,1H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyRPRSHEQKEVROJG-UHFFFAOYSA-N
XLogP3.28
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 55898896
N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120564934
(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 41435480
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
(3R)-3-acetamido-N-(isoquinolin-1-ylmethyl)-3-thiophen-2-ylpropanamide
CID 26072257
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064649
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 134003536
N-[3-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926355
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904354
3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 71894859
3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42931061

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 55903975) is N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide is CC(=O)NC(CC(=O)NCc1cccc(NC(=O)c2ccncc2)c1)c1cccs1.
What is the InChIKey of N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is RPRSHEQKEVROJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-15(27)25-19(20-6-3-11-30-20)13-21(28)24-14-16-4-2-5-18(12-16)26-22(29)17-7-9-23-10-8-17/h2-12,19H,13-14H2,1H3,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55903975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).