6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

C21H28N4O2 — CID 129353367

IUPAC6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SMILESCOc1cccc2c1CCN(C(=O)NC[C@@H]1CCCn3cc(C)nc31)CC2
InChIInChI=1S/C21H28N4O2/c1-15-14-25-10-4-6-17(20(25)23-15)13-22-21(26)24-11-8-16-5-3-7-19(27-2)18(16)9-12-24/h3,5,7,14,17H,4,6,8-13H2,1-2H3,(H,22,26)/t17-/m0/s1
InChIKeyKHAUYKQTYBXSJC-KRWDZBQOSA-N
MW368.48 g/mol
LogP2.89
Rot. Bonds3

About 6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (PubChem CID 129353367) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
PubChem CID129353367
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SMILESCOc1cccc2c1CCN(C(=O)NC[C@@H]1CCCn3cc(C)nc31)CC2
InChIInChI=1S/C21H28N4O2/c1-15-14-25-10-4-6-17(20(25)23-15)13-22-21(26)24-11-8-16-5-3-7-19(27-2)18(16)9-12-24/h3,5,7,14,17H,4,6,8-13H2,1-2H3,(H,22,26)/t17-/m0/s1
InChIKeyKHAUYKQTYBXSJC-KRWDZBQOSA-N
XLogP2.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (CID 129353367) is 6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is COc1cccc2c1CCN(C(=O)NC[C@@H]1CCCn3cc(C)nc31)CC2.
What is the InChIKey of 6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The InChIKey is KHAUYKQTYBXSJC-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-14-25-10-4-6-17(20(25)23-15)13-22-21(26)24-11-8-16-5-3-7-19(27-2)18(16)9-12-24/h3,5,7,14,17H,4,6,8-13H2,1-2H3,(H,22,26)/t17-/m0/s1.
What are the key properties of 6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is sourced from PubChem (CID 129353367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).