N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide

C16H20N4O — CID 114701818

IUPACN-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NCc2ccncc2C)n1
InChIInChI=1S/C16H20N4O/c1-3-8-18-15-6-4-5-14(20-15)16(21)19-11-13-7-9-17-10-12(13)2/h4-7,9-10H,3,8,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXUVHXKWIEPWTGL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.54
Rot. Bonds6

About N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide

N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide (PubChem CID 114701818) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide
PubChem CID114701818
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NCc2ccncc2C)n1
InChIInChI=1S/C16H20N4O/c1-3-8-18-15-6-4-5-14(20-15)16(21)19-11-13-7-9-17-10-12(13)2/h4-7,9-10H,3,8,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXUVHXKWIEPWTGL-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

6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 114699456
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide
CID 106049832
N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 114701819
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
6-(propylamino)-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 62240151
N-propyl-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 117080375
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide
CID 79231920
6-[(3-methyl-4-pyridinyl)methylamino]pyridine-2-carbothioamide
CID 114700514
N-[2-(ethylamino)-2-oxoethyl]-6-(propylamino)pyridine-2-carboxamide
CID 55052141
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 102907982

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide (CID 114701818) is N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)NCc2ccncc2C)n1.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is XUVHXKWIEPWTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-8-18-15-6-4-5-14(20-15)16(21)19-11-13-7-9-17-10-12(13)2/h4-7,9-10H,3,8,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide?
N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-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]-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 114701818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).