N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide

C22H22N4O3S — CID 54760786

IUPACN-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2cccs2)nc1)C(N)=O
InChIInChI=1S/C22H22N4O3S/c1-14(20(23)27)25-22(29)18(12-15-6-3-2-4-7-15)26-21(28)16-9-10-17(24-13-16)19-8-5-11-30-19/h2-11,13-14,18H,12H2,1H3,(H2,23,27)(H,25,29)(H,26,28)
InChIKeyDUSTYSBGUUACFO-UHFFFAOYSA-N
MW422.51 g/mol
LogP2.14
Rot. Bonds8

About N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide

N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 54760786) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID54760786
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2cccs2)nc1)C(N)=O
InChIInChI=1S/C22H22N4O3S/c1-14(20(23)27)25-22(29)18(12-15-6-3-2-4-7-15)26-21(28)16-9-10-17(24-13-16)19-8-5-11-30-19/h2-11,13-14,18H,12H2,1H3,(H2,23,27)(H,25,29)(H,26,28)
InChIKeyDUSTYSBGUUACFO-UHFFFAOYSA-N
XLogP2.14
TPSA114.18 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 ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide (CID 54760786) is N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide is CC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2cccs2)nc1)C(N)=O.
What is the InChIKey of N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is DUSTYSBGUUACFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-14(20(23)27)25-22(29)18(12-15-6-3-2-4-7-15)26-21(28)16-9-10-17(24-13-16)19-8-5-11-30-19/h2-11,13-14,18H,12H2,1H3,(H2,23,27)(H,25,29)(H,26,28).
What are the key properties of N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide?
N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 54760786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).