(6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide

C18H24N4O — CID 25338891

IUPAC(6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(C)N1Cc2[nH]cnc2C[C@H]1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H24N4O/c1-13(2)22-11-16-15(19-12-20-16)9-17(22)18(23)21(3)10-14-7-5-4-6-8-14/h4-8,12-13,17H,9-11H2,1-3H3,(H,19,20)/t17-/m0/s1
InChIKeyNEJHUKCEFNPIGB-KRWDZBQOSA-N
MW312.42 g/mol
LogP2.20
Rot. Bonds4

About (6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide

(6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 25338891) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID25338891
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(C)N1Cc2[nH]cnc2C[C@H]1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H24N4O/c1-13(2)22-11-16-15(19-12-20-16)9-17(22)18(23)21(3)10-14-7-5-4-6-8-14/h4-8,12-13,17H,9-11H2,1-3H3,(H,19,20)/t17-/m0/s1
InChIKeyNEJHUKCEFNPIGB-KRWDZBQOSA-N
XLogP2.20
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of (6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide (CID 25338891) is (6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for (6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for (6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide is CC(C)N1Cc2[nH]cnc2C[C@H]1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of (6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is NEJHUKCEFNPIGB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(2)22-11-16-15(19-12-20-16)9-17(22)18(23)21(3)10-14-7-5-4-6-8-14/h4-8,12-13,17H,9-11H2,1-3H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
(6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-benzyl-N-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 25338891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).