N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide

C16H20N4O2 — CID 133320849

IUPACN-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide
SMILESCCCOc1ccc(CNc2ncccc2C(=O)NC)cn1
InChIInChI=1S/C16H20N4O2/c1-3-9-22-14-7-6-12(10-19-14)11-20-15-13(16(21)17-2)5-4-8-18-15/h4-8,10H,3,9,11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyAKDQHLGITISKJA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.24
Rot. Bonds7

About N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide

N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide (PubChem CID 133320849) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide
PubChem CID133320849
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide
SMILESCCCOc1ccc(CNc2ncccc2C(=O)NC)cn1
InChIInChI=1S/C16H20N4O2/c1-3-9-22-14-7-6-12(10-19-14)11-20-15-13(16(21)17-2)5-4-8-18-15/h4-8,10H,3,9,11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyAKDQHLGITISKJA-UHFFFAOYSA-N
XLogP2.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319280
N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 71996721
N-methyl-6-propoxypyridine-3-carboxamide
CID 66904923
3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide
CID 114936559
4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol
CID 114332578
N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
CID 106900046
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62269325
N-(6-methoxy-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167573
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide
CID 119047086

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide (CID 133320849) is N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide is CCCOc1ccc(CNc2ncccc2C(=O)NC)cn1.
What is the InChIKey of N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide?
The InChIKey is AKDQHLGITISKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-9-22-14-7-6-12(10-19-14)11-20-15-13(16(21)17-2)5-4-8-18-15/h4-8,10H,3,9,11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide?
N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133320849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).