N-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide

C23H23N5O3S — CID 164616937

IUPACN-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide
SMILESCc1ccnc(NC(=O)c2ccsc2NC(=O)c2ccc(C(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C23H23N5O3S/c1-15-9-11-24-23(25-15)27-20(30)18-10-14-32-21(18)26-19(29)16-5-7-17(8-6-16)22(31)28-12-3-2-4-13-28/h5-11,14H,2-4,12-13H2,1H3,(H,26,29)(H,24,25,27,30)
InChIKeyYTXSNJWOWQYLBO-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.98
Rot. Bonds5

About N-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide

N-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide (PubChem CID 164616937) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide
PubChem CID164616937
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide
SMILESCc1ccnc(NC(=O)c2ccsc2NC(=O)c2ccc(C(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C23H23N5O3S/c1-15-9-11-24-23(25-15)27-20(30)18-10-14-32-21(18)26-19(29)16-5-7-17(8-6-16)22(31)28-12-3-2-4-13-28/h5-11,14H,2-4,12-13H2,1H3,(H,26,29)(H,24,25,27,30)
InChIKeyYTXSNJWOWQYLBO-UHFFFAOYSA-N
XLogP3.98
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 54761301
6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548356
8-ethyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328648
6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548294
8-methyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328638
Pyrido[2,3-d]pyrimidin-7-one deriv. 27
CID 5328640
8-methyl-2-(phenylamino)-6-(thiophen-2-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328645
5-[2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide
CID 16036800
5-(2-Amino-pyrimidin-4-yl)-2-phenyl-thiophene-3-carboxamide
CID 24809936
2-[(5-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127140
2-(3-(4-Acetylpiperazine-1-carbonyl)phenylamino)-4-(4-methyl-2-(methylamino)-thiazol-5-yl)pyrimidine-5-carbonitrile
CID 44253321
N-(2-aminophenyl)-4-((4-(thiophen-3-yl)pyrimidin-2-ylamino)methyl)benzamide
CID 44570892

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of N-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide (CID 164616937) is N-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for N-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for N-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide is Cc1ccnc(NC(=O)c2ccsc2NC(=O)c2ccc(C(=O)N3CCCCC3)cc2)n1.
What is the InChIKey of N-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is YTXSNJWOWQYLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-15-9-11-24-23(25-15)27-20(30)18-10-14-32-21(18)26-19(29)16-5-7-17(8-6-16)22(31)28-12-3-2-4-13-28/h5-11,14H,2-4,12-13H2,1H3,(H,26,29)(H,24,25,27,30).
What are the key properties of N-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide?
N-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 164616937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).