N-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide

C14H17N5O3S — CID 140582769

IUPACN-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCN(C)S(=O)(=O)Nc1ccc(CNC(=O)c2ccncc2)cn1
InChIInChI=1S/C14H17N5O3S/c1-19(2)23(21,22)18-13-4-3-11(9-16-13)10-17-14(20)12-5-7-15-8-6-12/h3-9H,10H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyQOUUXYVVXWTNED-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.62
Rot. Bonds6

About N-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide

N-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 140582769) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide
PubChem CID140582769
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC NameN-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCN(C)S(=O)(=O)Nc1ccc(CNC(=O)c2ccncc2)cn1
InChIInChI=1S/C14H17N5O3S/c1-19(2)23(21,22)18-13-4-3-11(9-16-13)10-17-14(20)12-5-7-15-8-6-12/h3-9H,10H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyQOUUXYVVXWTNED-UHFFFAOYSA-N
XLogP0.62
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 86783842
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide
CID 107233792
4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 900511
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 17200575
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide
CID 110444852
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452
2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
CID 113027139
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide (CID 140582769) is N-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide is CN(C)S(=O)(=O)Nc1ccc(CNC(=O)c2ccncc2)cn1.
What is the InChIKey of N-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The InChIKey is QOUUXYVVXWTNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-19(2)23(21,22)18-13-4-3-11(9-16-13)10-17-14(20)12-5-7-15-8-6-12/h3-9H,10H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of N-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide?
N-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylsulfamoylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 140582769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).