(7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate

C18H14Cl2N4O2 — CID 175776436

IUPAC(7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate
SMILESCC/C(=C\c1cnc(Cl)cc1N)C(=O)Oc1ccc2cnc(Cl)cc2n1
InChIInChI=1S/C18H14Cl2N4O2/c1-2-10(5-12-9-23-15(19)6-13(12)21)18(25)26-17-4-3-11-8-22-16(20)7-14(11)24-17/h3-9H,2H2,1H3,(H2,21,23)/b10-5+
InChIKeyATXVXGMANFYJLQ-BJMVGYQFSA-N
MW389.24 g/mol
LogP4.31
Rot. Bonds4

About (7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate

(7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate (PubChem CID 175776436) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is (7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate.

Molecular Properties

Compound Name(7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate
PubChem CID175776436
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name(7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate
SMILESCC/C(=C\c1cnc(Cl)cc1N)C(=O)Oc1ccc2cnc(Cl)cc2n1
InChIInChI=1S/C18H14Cl2N4O2/c1-2-10(5-12-9-23-15(19)6-13(12)21)18(25)26-17-4-3-11-8-22-16(20)7-14(11)24-17/h3-9H,2H2,1H3,(H2,21,23)/b10-5+
InChIKeyATXVXGMANFYJLQ-BJMVGYQFSA-N
XLogP4.31
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate with MolForge

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Related Compounds

ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate
CID 156719479
tert-butyl N-[3-(4-amino-6-chloro-3-pyridinyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
CID 170809224
2-bromo-7-chloro-1,6-naphthyridine
CID 138754733
3-(4-amino-6-chloro-3-pyridinyl)prop-2-ene-1-thiol
CID 169454768
ethyl 2-[[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]methylidene]butanoate
CID 91108866
4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid
CID 164580008
ethyl 2-[[6-(methoxymethoxy)quinolin-3-yl]methylidene]butanoate
CID 70127148
1-(2-chloro-5-methyl-4-pyridinyl)propan-1-one
CID 170702285
2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate
CID 175100340
4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 170797595
2-chloro-1,6-naphthyridin-7-amine
CID 138605042
CID 170968311
CID 170968311

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate?
The IUPAC name of (7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate (CID 175776436) is (7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate.
What is the SMILES notation for (7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate?
The canonical SMILES for (7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate is CC/C(=C\c1cnc(Cl)cc1N)C(=O)Oc1ccc2cnc(Cl)cc2n1.
What is the InChIKey of (7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate?
The InChIKey is ATXVXGMANFYJLQ-BJMVGYQFSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c1-2-10(5-12-9-23-15(19)6-13(12)21)18(25)26-17-4-3-11-8-22-16(20)7-14(11)24-17/h3-9H,2H2,1H3,(H2,21,23)/b10-5+.
What are the key properties of (7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate?
(7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate has a molecular weight of 389.24 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,6-naphthyridin-2-yl) (2E)-2-[(4-amino-6-chloro-3-pyridinyl)methylidene]butanoate is sourced from PubChem (CID 175776436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).