3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide

C11H16N4O2 — CID 106915192

IUPAC3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
SMILESCNC(=O)CCN(C)C(=O)c1ncccc1N
InChIInChI=1S/C11H16N4O2/c1-13-9(16)5-7-15(2)11(17)10-8(12)4-3-6-14-10/h3-4,6H,5,7,12H2,1-2H3,(H,13,16)
InChIKeyNMNKVDZDOYRPGQ-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.13
Rot. Bonds4

About 3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide

3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide (PubChem CID 106915192) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
PubChem CID106915192
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
SMILESCNC(=O)CCN(C)C(=O)c1ncccc1N
InChIInChI=1S/C11H16N4O2/c1-13-9(16)5-7-15(2)11(17)10-8(12)4-3-6-14-10/h3-4,6H,5,7,12H2,1-2H3,(H,13,16)
InChIKeyNMNKVDZDOYRPGQ-UHFFFAOYSA-N
XLogP-0.13
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
CID 112704117
3-amino-N-hydroxy-N-methylpyridine-2-carboxamide
CID 130884472
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741559
N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106916885
3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913762
3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 104741760
3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide
CID 104742495
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 113447596
3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104741052
3-amino-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741078
3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741689
3-amino-N,N-bis(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741768

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide (CID 106915192) is 3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide is CNC(=O)CCN(C)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
The InChIKey is NMNKVDZDOYRPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-13-9(16)5-7-15(2)11(17)10-8(12)4-3-6-14-10/h3-4,6H,5,7,12H2,1-2H3,(H,13,16).
What are the key properties of 3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide has a molecular weight of 236.28 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 106915192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).