3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine

C21H23N5O — CID 170352416

IUPAC3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine
SMILESN/C=C(/Cc1ccc(OCc2ccccc2)cc1)N(N)c1cccnc1N
InChIInChI=1S/C21H23N5O/c22-14-18(26(24)20-7-4-12-25-21(20)23)13-16-8-10-19(11-9-16)27-15-17-5-2-1-3-6-17/h1-12,14H,13,15,22,24H2,(H2,23,25)/b18-14-
InChIKeyGMLPURZMIMTZLT-JXAWBTAJSA-N
MW361.45 g/mol
LogP2.97
Rot. Bonds7

About 3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine

3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine (PubChem CID 170352416) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine.

Molecular Properties

Compound Name3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine
PubChem CID170352416
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine
SMILESN/C=C(/Cc1ccc(OCc2ccccc2)cc1)N(N)c1cccnc1N
InChIInChI=1S/C21H23N5O/c22-14-18(26(24)20-7-4-12-25-21(20)23)13-16-8-10-19(11-9-16)27-15-17-5-2-1-3-6-17/h1-12,14H,13,15,22,24H2,(H2,23,25)/b18-14-
InChIKeyGMLPURZMIMTZLT-JXAWBTAJSA-N
XLogP2.97
TPSA103.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine?
The IUPAC name of 3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine (CID 170352416) is 3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine.
What is the SMILES notation for 3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine?
The canonical SMILES for 3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine is N/C=C(/Cc1ccc(OCc2ccccc2)cc1)N(N)c1cccnc1N.
What is the InChIKey of 3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine?
The InChIKey is GMLPURZMIMTZLT-JXAWBTAJSA-N. The full InChI is InChI=1S/C21H23N5O/c22-14-18(26(24)20-7-4-12-25-21(20)23)13-16-8-10-19(11-9-16)27-15-17-5-2-1-3-6-17/h1-12,14H,13,15,22,24H2,(H2,23,25)/b18-14-.
What are the key properties of 3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine?
3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine has a molecular weight of 361.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine is sourced from PubChem (CID 170352416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).