[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate

C23H37N5O3 — CID 145423829

IUPAC[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate
SMILESCCCC1(N(C)C(=O)OC/C(=C(/N)c2ccc(OC3CCCCC3)cn2)N(C)N)CC1
InChIInChI=1S/C23H37N5O3/c1-4-12-23(13-14-23)27(2)22(29)30-16-20(28(3)25)21(24)19-11-10-18(15-26-19)31-17-8-6-5-7-9-17/h10-11,15,17H,4-9,12-14,16,24-25H2,1-3H3/b21-20-
InChIKeyHLIGXRKMLYFINA-MRCUWXFGSA-N
MW431.58 g/mol
LogP3.63
Rot. Bonds9

About [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate

[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate (PubChem CID 145423829) has the molecular formula C23H37N5O3 and a molecular weight of 431.58 g/mol. Its IUPAC name is [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate
PubChem CID145423829
Molecular FormulaC23H37N5O3
Molecular Weight431.58 g/mol
Exact Mass431.29
IUPAC Name[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate
SMILESCCCC1(N(C)C(=O)OC/C(=C(/N)c2ccc(OC3CCCCC3)cn2)N(C)N)CC1
InChIInChI=1S/C23H37N5O3/c1-4-12-23(13-14-23)27(2)22(29)30-16-20(28(3)25)21(24)19-11-10-18(15-26-19)31-17-8-6-5-7-9-17/h10-11,15,17H,4-9,12-14,16,24-25H2,1-3H3/b21-20-
InChIKeyHLIGXRKMLYFINA-MRCUWXFGSA-N
XLogP3.63
TPSA106.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-spiro[2.3]hexan-5-ylcarbamate
CID 145423885
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-(cyclopropylmethyl)-N-methylcarbamate;ethane
CID 145423871
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(3-methylbutyl)carbamate
CID 154935949
(1-propylcyclopropyl)methyl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl]carbamate
CID 166804302
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-methoxy-2-pyridinyl)prop-2-enyl] N-cyclopentyl-N-methylcarbamate
CID 155745579
(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal
CID 167298749
N,N'-diamino-N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl]cyclopentanecarboximidamide
CID 167298903
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methoxy-2-pyridinyl)prop-2-enyl] N-methyl-N-propylcarbamate
CID 154936338
[5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate
CID 135379842
[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-cyano-5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-propylcarbamate
CID 145423803
(3-fluorophenyl)methyl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl]carbamate
CID 166804221
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methylpyrazin-2-yl)prop-2-enyl] N-(2-fluorobutyl)-N-methylcarbamate
CID 154936069

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate?
The IUPAC name of [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate (CID 145423829) is [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate.
What is the SMILES notation for [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate?
The canonical SMILES for [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate is CCCC1(N(C)C(=O)OC/C(=C(/N)c2ccc(OC3CCCCC3)cn2)N(C)N)CC1.
What is the InChIKey of [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate?
The InChIKey is HLIGXRKMLYFINA-MRCUWXFGSA-N. The full InChI is InChI=1S/C23H37N5O3/c1-4-12-23(13-14-23)27(2)22(29)30-16-20(28(3)25)21(24)19-11-10-18(15-26-19)31-17-8-6-5-7-9-17/h10-11,15,17H,4-9,12-14,16,24-25H2,1-3H3/b21-20-.
What are the key properties of [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate?
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate has a molecular weight of 431.58 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate is sourced from PubChem (CID 145423829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).