N-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C12H19N5O2 — CID 106915249

IUPACN-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCNC(=O)CCN(C)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C12H19N5O2/c1-13-11(18)3-4-17(2)12(19)9-5-8-10(6-14-9)16-7-15-8/h7,9,14H,3-6H2,1-2H3,(H,13,18)(H,15,16)
InChIKeyNFZRKYSLBPDZOO-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.98
Rot. Bonds4

About N-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 106915249) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID106915249
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCNC(=O)CCN(C)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C12H19N5O2/c1-13-11(18)3-4-17(2)12(19)9-5-8-10(6-14-9)16-7-15-8/h7,9,14H,3-6H2,1-2H3,(H,13,18)(H,15,16)
InChIKeyNFZRKYSLBPDZOO-UHFFFAOYSA-N
XLogP-0.98
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 106915249) is N-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CNC(=O)CCN(C)C(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is NFZRKYSLBPDZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-13-11(18)3-4-17(2)12(19)9-5-8-10(6-14-9)16-7-15-8/h7,9,14H,3-6H2,1-2H3,(H,13,18)(H,15,16).
What are the key properties of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(methylamino)-3-oxopropyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 106915249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).