4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide

C19H19N5O2 — CID 54581335

IUPAC4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide
SMILESCOc1ncc(C)cc1-c1cccc2c(N)c(C(=O)NC3CC3)nnc12
InChIInChI=1S/C19H19N5O2/c1-10-8-14(19(26-2)21-9-10)12-4-3-5-13-15(20)17(24-23-16(12)13)18(25)22-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H2,20,23)(H,22,25)
InChIKeyQPBUEBDNKGGQCP-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.48
Rot. Bonds4

About 4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide

4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide (PubChem CID 54581335) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide
PubChem CID54581335
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide
SMILESCOc1ncc(C)cc1-c1cccc2c(N)c(C(=O)NC3CC3)nnc12
InChIInChI=1S/C19H19N5O2/c1-10-8-14(19(26-2)21-9-10)12-4-3-5-13-15(20)17(24-23-16(12)13)18(25)22-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H2,20,23)(H,22,25)
InChIKeyQPBUEBDNKGGQCP-UHFFFAOYSA-N
XLogP2.48
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide (CID 54581335) is 4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide is COc1ncc(C)cc1-c1cccc2c(N)c(C(=O)NC3CC3)nnc12.
What is the InChIKey of 4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide?
The InChIKey is QPBUEBDNKGGQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-10-8-14(19(26-2)21-9-10)12-4-3-5-13-15(20)17(24-23-16(12)13)18(25)22-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H2,20,23)(H,22,25).
What are the key properties of 4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide?
4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide is sourced from PubChem (CID 54581335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).