[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate

C24H37N5O3 — CID 154936285

IUPAC[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate
SMILESCc1nc(/C(N)=C(\COC(=O)N2CCC(C3CC3)C2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C24H37N5O3/c1-16-22(32-19-6-4-3-5-7-19)11-10-20(27-16)23(25)21(28(2)26)15-31-24(30)29-13-12-18(14-29)17-8-9-17/h10-11,17-19H,3-9,12-15,25-26H2,1-2H3/b23-21-
InChIKeyNOGIVFSUTFXPLN-LNVKXUELSA-N
MW443.59 g/mol
LogP3.40
Rot. Bonds7

About [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate

[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate (PubChem CID 154936285) has the molecular formula C24H37N5O3 and a molecular weight of 443.59 g/mol. Its IUPAC name is [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate
PubChem CID154936285
Molecular FormulaC24H37N5O3
Molecular Weight443.59 g/mol
Exact Mass443.29
IUPAC Name[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate
SMILESCc1nc(/C(N)=C(\COC(=O)N2CCC(C3CC3)C2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C24H37N5O3/c1-16-22(32-19-6-4-3-5-7-19)11-10-20(27-16)23(25)21(28(2)26)15-31-24(30)29-13-12-18(14-29)17-8-9-17/h10-11,17-19H,3-9,12-15,25-26H2,1-2H3/b23-21-
InChIKeyNOGIVFSUTFXPLN-LNVKXUELSA-N
XLogP3.40
TPSA106.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.40
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-6-methyl-2-pyridinyl)prop-2-enyl] 3,3-dimethylpiperidine-1-carboxylate
CID 154935997
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 2-methylazetidine-1-carboxylate
CID 154935999
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] N-methyl-N-pentan-2-ylcarbamate
CID 154936261
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] N-(cyclobutylmethyl)carbamate;formic acid
CID 145423765
methyl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 166804155
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] N-methyl-N-[1-[(2S)-2-methylcyclopropyl]ethyl]carbamate
CID 154936077
(Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol
CID 154936315
1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]-3-(2-methylpropyl)urea
CID 166804318
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine
CID 167298819
1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]-3-(3-methylbutyl)urea
CID 166804370
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(4-cyclopropyltriazol-1-yl)prop-1-en-1-amine
CID 167298671
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine
CID 167298872

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate?
The IUPAC name of [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate (CID 154936285) is [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate.
What is the SMILES notation for [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate?
The canonical SMILES for [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate is Cc1nc(/C(N)=C(\COC(=O)N2CCC(C3CC3)C2)N(C)N)ccc1OC1CCCCC1.
What is the InChIKey of [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate?
The InChIKey is NOGIVFSUTFXPLN-LNVKXUELSA-N. The full InChI is InChI=1S/C24H37N5O3/c1-16-22(32-19-6-4-3-5-7-19)11-10-20(27-16)23(25)21(28(2)26)15-31-24(30)29-13-12-18(14-29)17-8-9-17/h10-11,17-19H,3-9,12-15,25-26H2,1-2H3/b23-21-.
What are the key properties of [(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate?
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate has a molecular weight of 443.59 g/mol, XLogP of 3.40, 7 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-6-methyl-2-pyridinyl)prop-2-enyl] 3-cyclopropylpyrrolidine-1-carboxylate is sourced from PubChem (CID 154936285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).