N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide

C14H23N3OS — CID 112664221

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)N(C)C(C)CSC
InChIInChI=1S/C14H23N3OS/c1-5-7-16-13-6-8-15-9-12(13)14(18)17(3)11(2)10-19-4/h6,8-9,11H,5,7,10H2,1-4H3,(H,15,16)
InChIKeyBDZAJVRUQFMDNI-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.73
Rot. Bonds7

About N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide

N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide (PubChem CID 112664221) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide
PubChem CID112664221
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)N(C)C(C)CSC
InChIInChI=1S/C14H23N3OS/c1-5-7-16-13-6-8-15-9-12(13)14(18)17(3)11(2)10-19-4/h6,8-9,11H,5,7,10H2,1-4H3,(H,15,16)
InChIKeyBDZAJVRUQFMDNI-UHFFFAOYSA-N
XLogP2.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114244443
3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105071045
N-[2-[ethyl(methyl)amino]ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240941
N,N-bis(2-methoxyethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237784
5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114924378
N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81242683
N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178
N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238812
N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 112664197
4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 114238290
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
4-(ethylamino)-N,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 112664208

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide (CID 112664221) is N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)N(C)C(C)CSC.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is BDZAJVRUQFMDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-5-7-16-13-6-8-15-9-12(13)14(18)17(3)11(2)10-19-4/h6,8-9,11H,5,7,10H2,1-4H3,(H,15,16).
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 112664221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).