N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide

C15H18N4OS — CID 90829902

IUPACN-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide
SMILESCCN(c1nc(CNC(=O)c2cccnc2)cs1)C1CC1
InChIInChI=1S/C15H18N4OS/c1-2-19(13-5-6-13)15-18-12(10-21-15)9-17-14(20)11-4-3-7-16-8-11/h3-4,7-8,10,13H,2,5-6,9H2,1H3,(H,17,20)
InChIKeyJAWANAOAMAZLBS-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.46
Rot. Bonds6

About N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide

N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 90829902) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide
PubChem CID90829902
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide
SMILESCCN(c1nc(CNC(=O)c2cccnc2)cs1)C1CC1
InChIInChI=1S/C15H18N4OS/c1-2-19(13-5-6-13)15-18-12(10-21-15)9-17-14(20)11-4-3-7-16-8-11/h3-4,7-8,10,13H,2,5-6,9H2,1H3,(H,17,20)
InChIKeyJAWANAOAMAZLBS-UHFFFAOYSA-N
XLogP2.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
CID 62756542
N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide
CID 110873450
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
4-methyl-3,5-dinitro-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108749012
[4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 131891386
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 110714802
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 3480488

Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide (CID 90829902) is N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide is CCN(c1nc(CNC(=O)c2cccnc2)cs1)C1CC1.
What is the InChIKey of N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is JAWANAOAMAZLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-2-19(13-5-6-13)15-18-12(10-21-15)9-17-14(20)11-4-3-7-16-8-11/h3-4,7-8,10,13H,2,5-6,9H2,1H3,(H,17,20).
What are the key properties of N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide?
N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 90829902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).