[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate

C23H37N5O4 — CID 154935901

IUPAC[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate
SMILESCOCc1nc(/C(N)=C(\COC(=O)N(C)CC2CC2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C23H37N5O4/c1-27(13-16-9-10-16)23(29)31-15-20(28(2)25)22(24)18-11-12-21(19(26-18)14-30-3)32-17-7-5-4-6-8-17/h11-12,16-17H,4-10,13-15,24-25H2,1-3H3/b22-20-
InChIKeyWEVCBJKZFNICPF-XDOYNYLZSA-N
MW447.58 g/mol
LogP2.85
Rot. Bonds10

About [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate

[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate (PubChem CID 154935901) has the molecular formula C23H37N5O4 and a molecular weight of 447.58 g/mol. Its IUPAC name is [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate.

Molecular Properties

Compound Name[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate
PubChem CID154935901
Molecular FormulaC23H37N5O4
Molecular Weight447.58 g/mol
Exact Mass447.28
IUPAC Name[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate
SMILESCOCc1nc(/C(N)=C(\COC(=O)N(C)CC2CC2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C23H37N5O4/c1-27(13-16-9-10-16)23(29)31-15-20(28(2)25)22(24)18-11-12-21(19(26-18)14-30-3)32-17-7-5-4-6-8-17/h11-12,16-17H,4-10,13-15,24-25H2,1-3H3/b22-20-
InChIKeyWEVCBJKZFNICPF-XDOYNYLZSA-N
XLogP2.85
TPSA116.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate?
The IUPAC name of [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate (CID 154935901) is [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate.
What is the SMILES notation for [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate?
The canonical SMILES for [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate is COCc1nc(/C(N)=C(\COC(=O)N(C)CC2CC2)N(C)N)ccc1OC1CCCCC1.
What is the InChIKey of [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate?
The InChIKey is WEVCBJKZFNICPF-XDOYNYLZSA-N. The full InChI is InChI=1S/C23H37N5O4/c1-27(13-16-9-10-16)23(29)31-15-20(28(2)25)22(24)18-11-12-21(19(26-18)14-30-3)32-17-7-5-4-6-8-17/h11-12,16-17H,4-10,13-15,24-25H2,1-3H3/b22-20-.
What are the key properties of [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate?
[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate has a molecular weight of 447.58 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate is sourced from PubChem (CID 154935901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).