6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C16H19N5OS — CID 133339682

IUPAC6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(N(CC2CC2)CC2CC2)nc1
InChIInChI=1S/C16H19N5OS/c22-15(19-16-20-18-10-23-16)13-5-6-14(17-7-13)21(8-11-1-2-11)9-12-3-4-12/h5-7,10-12H,1-4,8-9H2,(H,19,20,22)
InChIKeyFVQQQEPLCKJPCC-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.81
Rot. Bonds7

About 6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133339682) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133339682
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(N(CC2CC2)CC2CC2)nc1
InChIInChI=1S/C16H19N5OS/c22-15(19-16-20-18-10-23-16)13-5-6-14(17-7-13)21(8-11-1-2-11)9-12-3-4-12/h5-7,10-12H,1-4,8-9H2,(H,19,20,22)
InChIKeyFVQQQEPLCKJPCC-UHFFFAOYSA-N
XLogP2.81
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133350945
6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339216
6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 56795561
6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339834
6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340452
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-(2,3-dimethylpyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133357725
6-(3-cyclohexylbutan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133356999
6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329677
6-[2-(diethylamino)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133381329
6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133448107
6-[(4-methylmorpholin-2-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343069

Frequently Asked Questions

What is the IUPAC name of 6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133339682) is 6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1ccc(N(CC2CC2)CC2CC2)nc1.
What is the InChIKey of 6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is FVQQQEPLCKJPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c22-15(19-16-20-18-10-23-16)13-5-6-14(17-7-13)21(8-11-1-2-11)9-12-3-4-12/h5-7,10-12H,1-4,8-9H2,(H,19,20,22).
What are the key properties of 6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133339682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).