N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide

C21H30N4O2 — CID 78150061

IUPACN-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC1C=C(C)C(Cc2nc3ccncc3[nH]2)CC1C(C)C
InChIInChI=1S/C21H30N4O2/c1-13(2)17-8-15(9-20-24-18-5-6-22-11-19(18)25-20)14(3)7-16(17)10-23-21(26)12-27-4/h5-7,11,13,15-17H,8-10,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyDQXCKYJJWSDQHX-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.12
Rot. Bonds7

About N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide

N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide (PubChem CID 78150061) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide
PubChem CID78150061
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC1C=C(C)C(Cc2nc3ccncc3[nH]2)CC1C(C)C
InChIInChI=1S/C21H30N4O2/c1-13(2)17-8-15(9-20-24-18-5-6-22-11-19(18)25-20)14(3)7-16(17)10-23-21(26)12-27-4/h5-7,11,13,15-17H,8-10,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyDQXCKYJJWSDQHX-UHFFFAOYSA-N
XLogP3.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide (CID 78150061) is N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide is COCC(=O)NCC1C=C(C)C(Cc2nc3ccncc3[nH]2)CC1C(C)C.
What is the InChIKey of N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide?
The InChIKey is DQXCKYJJWSDQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-13(2)17-8-15(9-20-24-18-5-6-22-11-19(18)25-20)14(3)7-16(17)10-23-21(26)12-27-4/h5-7,11,13,15-17H,8-10,12H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide?
N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide has a molecular weight of 370.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 78150061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).