(Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide

C20H29N5O2 — CID 142929816

IUPAC(Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide
SMILESCCOCCN(C)C(=O)C/C=C(/c1cccc(C)n1)N(N)C1=CC=CNC1
InChIInChI=1S/C20H29N5O2/c1-4-27-14-13-24(3)20(26)11-10-19(18-9-5-7-16(2)23-18)25(21)17-8-6-12-22-15-17/h5-10,12,22H,4,11,13-15,21H2,1-3H3/b19-10-
InChIKeyRTGUZXVUUFCCIJ-GRSHGNNSSA-N
MW371.49 g/mol
LogP1.79
Rot. Bonds9

About (Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide

(Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide (PubChem CID 142929816) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide.

Molecular Properties

Compound Name(Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide
PubChem CID142929816
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name(Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide
SMILESCCOCCN(C)C(=O)C/C=C(/c1cccc(C)n1)N(N)C1=CC=CNC1
InChIInChI=1S/C20H29N5O2/c1-4-27-14-13-24(3)20(26)11-10-19(18-9-5-7-16(2)23-18)25(21)17-8-6-12-22-15-17/h5-10,12,22H,4,11,13-15,21H2,1-3H3/b19-10-
InChIKeyRTGUZXVUUFCCIJ-GRSHGNNSSA-N
XLogP1.79
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide?
The IUPAC name of (Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide (CID 142929816) is (Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide.
What is the SMILES notation for (Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide?
The canonical SMILES for (Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide is CCOCCN(C)C(=O)C/C=C(/c1cccc(C)n1)N(N)C1=CC=CNC1.
What is the InChIKey of (Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide?
The InChIKey is RTGUZXVUUFCCIJ-GRSHGNNSSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-4-27-14-13-24(3)20(26)11-10-19(18-9-5-7-16(2)23-18)25(21)17-8-6-12-22-15-17/h5-10,12,22H,4,11,13-15,21H2,1-3H3/b19-10-.
What are the key properties of (Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide?
(Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide has a molecular weight of 371.49 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[amino(1,2-dihydropyridin-3-yl)amino]-N-(2-ethoxyethyl)-N-methyl-4-(6-methyl-2-pyridinyl)but-3-enamide is sourced from PubChem (CID 142929816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).