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

C16H20N4O — CID 114701819

IUPACN-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCc1ccncc1C
InChIInChI=1S/C16H20N4O/c1-3-6-19-15-5-8-18-11-14(15)16(21)20-10-13-4-7-17-9-12(13)2/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyGGBSVVITXWMDHS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.54
Rot. Bonds6

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

N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide (PubChem CID 114701819) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide
PubChem CID114701819
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCc1ccncc1C
InChIInChI=1S/C16H20N4O/c1-3-6-19-15-5-8-18-11-14(15)16(21)20-10-13-4-7-17-9-12(13)2/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyGGBSVVITXWMDHS-UHFFFAOYSA-N
XLogP2.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240490
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 106377308
4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81241625
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide
CID 114701818
N-[2-[ethyl(methyl)amino]ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240941
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide
CID 106280042
4-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 81240630
N-(4,6-dimethylpyrimidin-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81239346

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide (CID 114701819) is N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)NCc1ccncc1C.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is GGBSVVITXWMDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-6-19-15-5-8-18-11-14(15)16(21)20-10-13-4-7-17-9-12(13)2/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide?
N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 114701819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).