(E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide

C21H32N4O — CID 143659404

IUPAC(E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide
SMILESC/N=C(/C=C(\C1CC1)C(C)(C)C)Nc1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C21H32N4O/c1-21(2,3)18(17-6-7-17)13-20(22-4)24-19-8-5-16(14-23-19)15-25-9-11-26-12-10-25/h5,8,13-14,17H,6-7,9-12,15H2,1-4H3,(H,22,23,24)/b18-13+
InChIKeyPFSWYKCROLASHN-QGOAFFKASA-N
MW356.51 g/mol
LogP3.74
Rot. Bonds5

About (E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide

(E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide (PubChem CID 143659404) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is (E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide.

Molecular Properties

Compound Name(E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide
PubChem CID143659404
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name(E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide
SMILESC/N=C(/C=C(\C1CC1)C(C)(C)C)Nc1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C21H32N4O/c1-21(2,3)18(17-6-7-17)13-20(22-4)24-19-8-5-16(14-23-19)15-25-9-11-26-12-10-25/h5,8,13-14,17H,6-7,9-12,15H2,1-4H3,(H,22,23,24)/b18-13+
InChIKeyPFSWYKCROLASHN-QGOAFFKASA-N
XLogP3.74
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-(morpholin-4-ylmethyl)pyridin-2-amine
CID 62177527
2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 84590222
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145
N-methyl-1-[[6-(methylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55046042
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea
CID 75456130
5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide
CID 75469958
N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide
CID 75469956
2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 89193384
N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 178122436
(Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide
CID 155586454
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 125001192

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide?
The IUPAC name of (E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide (CID 143659404) is (E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide.
What is the SMILES notation for (E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide?
The canonical SMILES for (E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide is C/N=C(/C=C(\C1CC1)C(C)(C)C)Nc1ccc(CN2CCOCC2)cn1.
What is the InChIKey of (E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide?
The InChIKey is PFSWYKCROLASHN-QGOAFFKASA-N. The full InChI is InChI=1S/C21H32N4O/c1-21(2,3)18(17-6-7-17)13-20(22-4)24-19-8-5-16(14-23-19)15-25-9-11-26-12-10-25/h5,8,13-14,17H,6-7,9-12,15H2,1-4H3,(H,22,23,24)/b18-13+.
What are the key properties of (E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide?
(E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide has a molecular weight of 356.51 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide is sourced from PubChem (CID 143659404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).