N,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide

C25H31N7O2S — CID 18771721

IUPACN,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)n2)C1
InChIInChI=1S/C25H31N7O2S/c1-3-32(4-2)24(33)19-7-6-14-31(15-19)16-20-8-5-9-21(27-20)29-25(34)30-22-17-35-23(28-22)18-10-12-26-13-11-18/h5,8-13,17,19H,3-4,6-7,14-16H2,1-2H3,(H2,27,29,30,34)
InChIKeyXSYVQMOYKNBJGV-UHFFFAOYSA-N
MW493.64 g/mol
LogP4.32
Rot. Bonds8

About N,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide

N,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide (PubChem CID 18771721) has the molecular formula C25H31N7O2S and a molecular weight of 493.64 g/mol. Its IUPAC name is N,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide
PubChem CID18771721
Molecular FormulaC25H31N7O2S
Molecular Weight493.64 g/mol
Exact Mass493.23
IUPAC NameN,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)n2)C1
InChIInChI=1S/C25H31N7O2S/c1-3-32(4-2)24(33)19-7-6-14-31(15-19)16-20-8-5-9-21(27-20)29-25(34)30-22-17-35-23(28-22)18-10-12-26-13-11-18/h5,8-13,17,19H,3-4,6-7,14-16H2,1-2H3,(H2,27,29,30,34)
InChIKeyXSYVQMOYKNBJGV-UHFFFAOYSA-N
XLogP4.32
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.64
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride
CID 18771747
1-[6-(azepan-1-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea;hydrochloride
CID 69410895
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-[6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]urea
CID 18771874
1-[6-(1,3-oxazinan-3-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 59922335
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18772005
1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea
CID 18771919
1-[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-4-yl]-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea;hydrate
CID 159246394
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
1-[6-[(3-hydroxypropylamino)methyl]-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18771665
1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea
CID 18771618
1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 23109079

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide (CID 18771721) is N,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)n2)C1.
What is the InChIKey of N,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide?
The InChIKey is XSYVQMOYKNBJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2S/c1-3-32(4-2)24(33)19-7-6-14-31(15-19)16-20-8-5-9-21(27-20)29-25(34)30-22-17-35-23(28-22)18-10-12-26-13-11-18/h5,8-13,17,19H,3-4,6-7,14-16H2,1-2H3,(H2,27,29,30,34).
What are the key properties of N,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide?
N,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide has a molecular weight of 493.64 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 18771721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).