N-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide

C22H23N5O — CID 174460618

IUPACN-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide
SMILESNc1ccccc1NC(=O)C=Cc1ccc(N(N)CCc2ccccc2)nc1
InChIInChI=1S/C22H23N5O/c23-19-8-4-5-9-20(19)26-22(28)13-11-18-10-12-21(25-16-18)27(24)15-14-17-6-2-1-3-7-17/h1-13,16H,14-15,23-24H2,(H,26,28)
InChIKeyWTDAJKVNIIULJU-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.24
Rot. Bonds7

About N-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide

N-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide (PubChem CID 174460618) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide
PubChem CID174460618
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide
SMILESNc1ccccc1NC(=O)C=Cc1ccc(N(N)CCc2ccccc2)nc1
InChIInChI=1S/C22H23N5O/c23-19-8-4-5-9-20(19)26-22(28)13-11-18-10-12-21(25-16-18)27(24)15-14-17-6-2-1-3-7-17/h1-13,16H,14-15,23-24H2,(H,26,28)
InChIKeyWTDAJKVNIIULJU-UHFFFAOYSA-N
XLogP3.24
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide
CID 142065104
(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
CID 168818983
(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 20786027
N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586
(E)-N-(2-aminophenyl)-3-[4-[(naphthalen-1-ylamino)methyl]phenyl]prop-2-enamide
CID 20785972
(E)-N-(2-aminophenyl)-3-[3-(anilinomethyl)phenyl]prop-2-enamide
CID 139368358
(E)-N-(2-aminophenyl)-3-[4-[[6-(benzylamino)-2-chloropurin-9-yl]methyl]phenyl]prop-2-enamide
CID 162672222
N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide
CID 66893989
N-(2-aminophenyl)-3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]prop-2-enamide
CID 66893848
(E)-N-(2-aminophenyl)-3-[6-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]-3-pyridinyl]prop-2-enamide
CID 20786034
(E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide
CID 126611433
N-(2-aminophenyl)-3-[4-[(4-bromoanilino)methyl]phenyl]prop-2-enamide
CID 66893975

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide (CID 174460618) is N-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide is Nc1ccccc1NC(=O)C=Cc1ccc(N(N)CCc2ccccc2)nc1.
What is the InChIKey of N-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide?
The InChIKey is WTDAJKVNIIULJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c23-19-8-4-5-9-20(19)26-22(28)13-11-18-10-12-21(25-16-18)27(24)15-14-17-6-2-1-3-7-17/h1-13,16H,14-15,23-24H2,(H,26,28).
What are the key properties of N-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide?
N-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide has a molecular weight of 373.46 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 174460618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).