N-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

C24H29N7O2S — CID 90990465

IUPACN-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccnc(Nc2cccc(-c3cnc(N4CCC(C(=O)NCC(=O)N(C)C)CC4)s3)n2)c1
InChIInChI=1S/C24H29N7O2S/c1-16-7-10-25-21(13-16)29-20-6-4-5-18(28-20)19-14-27-24(34-19)31-11-8-17(9-12-31)23(33)26-15-22(32)30(2)3/h4-7,10,13-14,17H,8-9,11-12,15H2,1-3H3,(H,26,33)(H,25,28,29)
InChIKeyWYKMYBMSMXGQDI-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.07
Rot. Bonds7

About N-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 90990465) has the molecular formula C24H29N7O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID90990465
Molecular FormulaC24H29N7O2S
Molecular Weight479.61 g/mol
Exact Mass479.21
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccnc(Nc2cccc(-c3cnc(N4CCC(C(=O)NCC(=O)N(C)C)CC4)s3)n2)c1
InChIInChI=1S/C24H29N7O2S/c1-16-7-10-25-21(13-16)29-20-6-4-5-18(28-20)19-14-27-24(34-19)31-11-8-17(9-12-31)23(33)26-15-22(32)30(2)3/h4-7,10,13-14,17H,8-9,11-12,15H2,1-3H3,(H,26,33)(H,25,28,29)
InChIKeyWYKMYBMSMXGQDI-UHFFFAOYSA-N
XLogP3.07
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-Thiazol-2-yl)pyridin-2-amine 13
CID 5329326
N-(1,3-Thiazol-2-yl)pyridin-2-amine 15
CID 5329328
1-(Morpholin-4-Yl)-2-[4-(2-{[5-(Pyridin-3-Yl)-1,3-Thiazol-2-Yl]amino}pyridin-4-Yl)piperazin-1-Yl]ethanone
CID 56932125
N-alkylamide derivative 1
CID 118204326
5-(2-{[4-(4-acetylpiperazin-1-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)-N-(2-aminoethyl)nicotinamide
CID 15979751
N-(2-aminoethyl)-5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15979870
N-(2-aminoethyl)-5-[2-[[4-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980473
N-(2-aminoethyl)-5-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57867446
1-[4-(3-Methylbutyl)-5-Oxo-6-(Pyridin-3-Yl)-4,5-Dihydro[1,3]thiazolo[5,4-B]pyridin-2-Yl]-3-Prop-2-En-1-Ylurea
CID 71816193
N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135317
2-phenyl-1-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 49862200
3-phenyl-1-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 49862241

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 90990465) is N-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1ccnc(Nc2cccc(-c3cnc(N4CCC(C(=O)NCC(=O)N(C)C)CC4)s3)n2)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is WYKMYBMSMXGQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2S/c1-16-7-10-25-21(13-16)29-20-6-4-5-18(28-20)19-14-27-24(34-19)31-11-8-17(9-12-31)23(33)26-15-22(32)30(2)3/h4-7,10,13-14,17H,8-9,11-12,15H2,1-3H3,(H,26,33)(H,25,28,29).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90990465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).