N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

C16H26N4O — CID 63208830

IUPACN-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)N(C)CCN2CCCC2)cn1
InChIInChI=1S/C16H26N4O/c1-3-8-17-15-7-6-14(13-18-15)16(21)19(2)11-12-20-9-4-5-10-20/h6-7,13H,3-5,8-12H2,1-2H3,(H,17,18)
InChIKeyVOQNCPPXDNXPET-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.07
Rot. Bonds7

About N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 63208830) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID63208830
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)N(C)CCN2CCCC2)cn1
InChIInChI=1S/C16H26N4O/c1-3-8-17-15-7-6-14(13-18-15)16(21)19(2)11-12-20-9-4-5-10-20/h6-7,13H,3-5,8-12H2,1-2H3,(H,17,18)
InChIKeyVOQNCPPXDNXPET-UHFFFAOYSA-N
XLogP2.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-6-(propylamino)pyridine-3-carboxamide
CID 55046985
N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109151190
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62176856
6-(ethylamino)-N-methyl-N-propylpyridine-3-carboxamide
CID 62167941
[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 60722911
azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
CID 62172577
N-methyl-N-(1-methylpiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide
CID 62540530
N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
CID 109154268
N-[(1-methylpiperidin-2-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62173667
N-(2-hydroxyethyl)-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 55046804
N-propan-2-yl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 62168280
N-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide
CID 62178480

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 63208830) is N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is CCCNc1ccc(C(=O)N(C)CCN2CCCC2)cn1.
What is the InChIKey of N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is VOQNCPPXDNXPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-8-17-15-7-6-14(13-18-15)16(21)19(2)11-12-20-9-4-5-10-20/h6-7,13H,3-5,8-12H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63208830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).