N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide

C17H29N3O — CID 102907982

IUPACN-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C17H29N3O/c1-6-10-18-16-9-7-8-15(20-16)17(21)19-11-14(12(2)3)13(4)5/h7-9,12-14H,6,10-11H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyCNYKZAQLYZLRCR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.56
Rot. Bonds8

About N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide

N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 102907982) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID102907982
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C17H29N3O/c1-6-10-18-16-9-7-8-15(20-16)17(21)19-11-14(12(2)3)13(4)5/h7-9,12-14H,6,10-11H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyCNYKZAQLYZLRCR-UHFFFAOYSA-N
XLogP3.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
N-butan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62241135
N-[2-(ethylamino)-2-oxoethyl]-6-(propylamino)pyridine-2-carboxamide
CID 55052141
N-(6-methylheptan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 63499181
6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
CID 102904926
N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 55052478
N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62238841
N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 112664197
N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide
CID 106027806
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-(propylamino)pyridine-2-carboxamide
CID 105420352
6-(propylamino)-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 62240151
N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 63499138

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide (CID 102907982) is N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)NCC(C(C)C)C(C)C)n1.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is CNYKZAQLYZLRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-10-18-16-9-7-8-15(20-16)17(21)19-11-14(12(2)3)13(4)5/h7-9,12-14H,6,10-11H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide?
N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 102907982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).