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

C19H25N7O2 — CID 155585727

IUPAC(Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide
SMILES[H]/N=C/c1c(C2(C#N)CCOCC2)cc(N2CCOCC2)nc1/N=C(N)\C=C/N
InChIInChI=1S/C19H25N7O2/c20-4-1-16(23)24-18-14(12-21)15(19(13-22)2-7-27-8-3-19)11-17(25-18)26-5-9-28-10-6-26/h1,4,11-12,21H,2-3,5-10,20H2,(H2,23,24,25)/b4-1-,21-12+
InChIKeyVQPPRYMMHUKKCL-DNSZKFKFSA-N
MW383.46 g/mol
LogP0.95
Rot. Bonds5

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

(Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide (PubChem CID 155585727) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is (Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide
PubChem CID155585727
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name(Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide
SMILES[H]/N=C/c1c(C2(C#N)CCOCC2)cc(N2CCOCC2)nc1/N=C(N)\C=C/N
InChIInChI=1S/C19H25N7O2/c20-4-1-16(23)24-18-14(12-21)15(19(13-22)2-7-27-8-3-19)11-17(25-18)26-5-9-28-10-6-26/h1,4,11-12,21H,2-3,5-10,20H2,(H2,23,24,25)/b4-1-,21-12+
InChIKeyVQPPRYMMHUKKCL-DNSZKFKFSA-N
XLogP0.95
TPSA146.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

(Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide
CID 166527558
(Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide
CID 155585621
1-[3-methanimidoyl-6-morpholin-4-yl-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclobutane-1-carbonitrile
CID 178002765
N'-(4-amino-6-morpholin-4-ylpyrimidin-2-yl)benzenecarboximidamide;molecular hydrogen;phenylmethanimine
CID 142437698
4-[3-chloro-5-[(3R)-3-methylmorpholin-4-yl]-2H-[1,3]thiazolo[4,5-b]pyridin-7-yl]oxane-4-carbonitrile
CID 169061211
(Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile
CID 59504596
4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde
CID 83896564
3,4-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
CID 175406117
N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine
CID 90815907
4-[2-[[(1E,3E)-1-amino-4-methylhexa-1,3-dienyl]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-4-yl]oxane-4-carbonitrile
CID 166928421
1-[[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163351063
4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
CID 163354551

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide?
The IUPAC name of (Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide (CID 155585727) is (Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide is [H]/N=C/c1c(C2(C#N)CCOCC2)cc(N2CCOCC2)nc1/N=C(N)\C=C/N.
What is the InChIKey of (Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide?
The InChIKey is VQPPRYMMHUKKCL-DNSZKFKFSA-N. The full InChI is InChI=1S/C19H25N7O2/c20-4-1-16(23)24-18-14(12-21)15(19(13-22)2-7-27-8-3-19)11-17(25-18)26-5-9-28-10-6-26/h1,4,11-12,21H,2-3,5-10,20H2,(H2,23,24,25)/b4-1-,21-12+.
What are the key properties of (Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide?
(Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide has a molecular weight of 383.46 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide is sourced from PubChem (CID 155585727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).