N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide

C23H32N4O2S — CID 46953653

IUPACN-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)CC1
InChIInChI=1S/C23H32N4O2S/c1-17(2)26-10-6-19(7-11-26)25(3)22(28)21-16-20(18-4-8-24-9-5-18)23(30-21)27-12-14-29-15-13-27/h4-5,8-9,16-17,19H,6-7,10-15H2,1-3H3
InChIKeyCTTSVBBZOXMJOC-UHFFFAOYSA-N
MW428.60 g/mol
LogP3.59
Rot. Bonds5

About N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide

N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 46953653) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide
PubChem CID46953653
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC NameN-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)CC1
InChIInChI=1S/C23H32N4O2S/c1-17(2)26-10-6-19(7-11-26)25(3)22(28)21-16-20(18-4-8-24-9-5-18)23(30-21)27-12-14-29-15-13-27/h4-5,8-9,16-17,19H,6-7,10-15H2,1-3H3
InChIKeyCTTSVBBZOXMJOC-UHFFFAOYSA-N
XLogP3.59
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide with MolForge

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Related Compounds

N-methyl-5-morpholin-4-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-3-ylthiophene-2-carboxamide
CID 110237381
(2,6-dimethylmorpholin-4-yl)-(5-morpholin-4-yl-4-pyridin-4-ylthiophen-2-yl)methanone
CID 110237366
N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide
CID 110237363
5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide
CID 46961308
5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 60725126
N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 134008677
N-(2-cyanoethyl)-5-morpholin-4-yl-N-(oxan-4-yl)-4-phenylthiophene-2-carboxamide
CID 56572728
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 27794928
N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide
CID 91311253
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 9126685
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
[(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone
CID 95856405

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide (CID 46953653) is N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide is CC(C)N1CCC(N(C)C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)CC1.
What is the InChIKey of N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is CTTSVBBZOXMJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-17(2)26-10-6-19(7-11-26)25(3)22(28)21-16-20(18-4-8-24-9-5-18)23(30-21)27-12-14-29-15-13-27/h4-5,8-9,16-17,19H,6-7,10-15H2,1-3H3.
What are the key properties of N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide?
N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 46953653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).