2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide

C20H27N5O — CID 126675699

IUPAC2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(CN3CCC(N(C)C)C3)cc2)cnc1N
InChIInChI=1S/C20H27N5O/c1-22-20(26)18-10-16(11-23-19(18)21)15-6-4-14(5-7-15)12-25-9-8-17(13-25)24(2)3/h4-7,10-11,17H,8-9,12-13H2,1-3H3,(H2,21,23)(H,22,26)
InChIKeyYUAKPGIQNSBJNW-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.83
Rot. Bonds5

About 2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide

2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide (PubChem CID 126675699) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide
PubChem CID126675699
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(CN3CCC(N(C)C)C3)cc2)cnc1N
InChIInChI=1S/C20H27N5O/c1-22-20(26)18-10-16(11-23-19(18)21)15-6-4-14(5-7-15)12-25-9-8-17(13-25)24(2)3/h4-7,10-11,17H,8-9,12-13H2,1-3H3,(H2,21,23)(H,22,26)
InChIKeyYUAKPGIQNSBJNW-UHFFFAOYSA-N
XLogP1.83
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide (CID 126675699) is 2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(-c2ccc(CN3CCC(N(C)C)C3)cc2)cnc1N.
What is the InChIKey of 2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide?
The InChIKey is YUAKPGIQNSBJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-22-20(26)18-10-16(11-23-19(18)21)15-6-4-14(5-7-15)12-25-9-8-17(13-25)24(2)3/h4-7,10-11,17H,8-9,12-13H2,1-3H3,(H2,21,23)(H,22,26).
What are the key properties of 2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide?
2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 126675699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).