N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C22H21N5O3 — CID 170626515

IUPACN-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCCNc1ncc(-c2nc3cc(OC)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C22H21N5O3/c1-3-23-20-15-10-24-19(27-21(28)12-4-5-12)9-14(15)16(11-25-20)22-26-17-8-13(29-2)6-7-18(17)30-22/h6-12H,3-5H2,1-2H3,(H,23,25)(H,24,27,28)
InChIKeyIKCZJZVUKLJVRT-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.23
Rot. Bonds6

About N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170626515) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID170626515
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCCNc1ncc(-c2nc3cc(OC)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C22H21N5O3/c1-3-23-20-15-10-24-19(27-21(28)12-4-5-12)9-14(15)16(11-25-20)22-26-17-8-13(29-2)6-7-18(17)30-22/h6-12H,3-5H2,1-2H3,(H,23,25)(H,24,27,28)
InChIKeyIKCZJZVUKLJVRT-UHFFFAOYSA-N
XLogP4.23
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170626515) is N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CCNc1ncc(-c2nc3cc(OC)ccc3o2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is IKCZJZVUKLJVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-3-23-20-15-10-24-19(27-21(28)12-4-5-12)9-14(15)16(11-25-20)22-26-17-8-13(29-2)6-7-18(17)30-22/h6-12H,3-5H2,1-2H3,(H,23,25)(H,24,27,28).
What are the key properties of N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 403.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170626515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).