N-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide

C21H23N5O2 — CID 140921120

IUPACN-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide
SMILESCCc1ccncc1-c1cc2cc(C(NC(=O)C3CC3)OC)ncc2c(N)n1
InChIInChI=1S/C21H23N5O2/c1-3-12-6-7-23-10-15(12)17-8-14-9-18(24-11-16(14)19(22)25-17)21(28-2)26-20(27)13-4-5-13/h6-11,13,21H,3-5H2,1-2H3,(H2,22,25)(H,26,27)
InChIKeyQCNRXWMTQHMSQN-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.01
Rot. Bonds6

About N-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide

N-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide (PubChem CID 140921120) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide
PubChem CID140921120
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide
SMILESCCc1ccncc1-c1cc2cc(C(NC(=O)C3CC3)OC)ncc2c(N)n1
InChIInChI=1S/C21H23N5O2/c1-3-12-6-7-23-10-15(12)17-8-14-9-18(24-11-16(14)19(22)25-17)21(28-2)26-20(27)13-4-5-13/h6-11,13,21H,3-5H2,1-2H3,(H2,22,25)(H,26,27)
InChIKeyQCNRXWMTQHMSQN-UHFFFAOYSA-N
XLogP3.01
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide?
The IUPAC name of N-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide (CID 140921120) is N-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide is CCc1ccncc1-c1cc2cc(C(NC(=O)C3CC3)OC)ncc2c(N)n1.
What is the InChIKey of N-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide?
The InChIKey is QCNRXWMTQHMSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-3-12-6-7-23-10-15(12)17-8-14-9-18(24-11-16(14)19(22)25-17)21(28-2)26-20(27)13-4-5-13/h6-11,13,21H,3-5H2,1-2H3,(H2,22,25)(H,26,27).
What are the key properties of N-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide?
N-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide is sourced from PubChem (CID 140921120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).