(Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide

C19H25N7O — CID 155585621

IUPAC(Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide
SMILES[H]/N=C(\C=C)c1c(C(C)(C)C#N)cc(N2CCOCC2)nc1/N=C(N)\C=C/N
InChIInChI=1S/C19H25N7O/c1-4-14(22)17-13(19(2,3)12-21)11-16(26-7-9-27-10-8-26)25-18(17)24-15(23)5-6-20/h4-6,11,22H,1,7-10,20H2,2-3H3,(H2,23,24,25)/b6-5-,22-14+
InChIKeyIGSYYWMMWCSTOW-WFZWYFPKSA-N
MW367.46 g/mol
LogP1.73
Rot. Bonds6

About (Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide

(Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide (PubChem CID 155585621) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is (Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide
PubChem CID155585621
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name(Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide
SMILES[H]/N=C(\C=C)c1c(C(C)(C)C#N)cc(N2CCOCC2)nc1/N=C(N)\C=C/N
InChIInChI=1S/C19H25N7O/c1-4-14(22)17-13(19(2,3)12-21)11-16(26-7-9-27-10-8-26)25-18(17)24-15(23)5-6-20/h4-6,11,22H,1,7-10,20H2,2-3H3,(H2,23,24,25)/b6-5-,22-14+
InChIKeyIGSYYWMMWCSTOW-WFZWYFPKSA-N
XLogP1.73
TPSA137.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide
CID 155585727
(Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide
CID 166527558
2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile
CID 166527528
2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine
CID 166092111
4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde
CID 83896564
N'-(4-amino-6-morpholin-4-ylpyrimidin-2-yl)benzenecarboximidamide;molecular hydrogen;phenylmethanimine
CID 142437698
2-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]-2-methylpropanenitrile
CID 155585674
2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide
CID 81054109
N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine
CID 90815907
3,4-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
CID 175406117
4-(6-ethenyl-2-methoxypyrimidin-4-yl)morpholine
CID 15869492
(E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide
CID 170877903

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide?
The IUPAC name of (Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide (CID 155585621) is (Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide is [H]/N=C(\C=C)c1c(C(C)(C)C#N)cc(N2CCOCC2)nc1/N=C(N)\C=C/N.
What is the InChIKey of (Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide?
The InChIKey is IGSYYWMMWCSTOW-WFZWYFPKSA-N. The full InChI is InChI=1S/C19H25N7O/c1-4-14(22)17-13(19(2,3)12-21)11-16(26-7-9-27-10-8-26)25-18(17)24-15(23)5-6-20/h4-6,11,22H,1,7-10,20H2,2-3H3,(H2,23,24,25)/b6-5-,22-14+.
What are the key properties of (Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide?
(Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide has a molecular weight of 367.46 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide is sourced from PubChem (CID 155585621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).