7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H26N6O3 — CID 166632892

IUPAC7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC[C@@H](C)Nc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cccnc1
InChIInChI=1S/C26H26N6O3/c1-18(17-35-2)29-23-13-24(28-15-21(23)8-7-19-5-3-11-27-14-19)31-26(34)32-12-4-6-20-9-10-22(16-33)30-25(20)32/h3,5,9-11,13-16,18H,4,6,12,17H2,1-2H3,(H2,28,29,31,34)/t18-/m1/s1
InChIKeyWOXOFWURAFDFRN-GOSISDBHSA-N
MW470.53 g/mol
LogP3.52
Rot. Bonds6

About 7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166632892) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID166632892
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC[C@@H](C)Nc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cccnc1
InChIInChI=1S/C26H26N6O3/c1-18(17-35-2)29-23-13-24(28-15-21(23)8-7-19-5-3-11-27-14-19)31-26(34)32-12-4-6-20-9-10-22(16-33)30-25(20)32/h3,5,9-11,13-16,18H,4,6,12,17H2,1-2H3,(H2,28,29,31,34)/t18-/m1/s1
InChIKeyWOXOFWURAFDFRN-GOSISDBHSA-N
XLogP3.52
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166632892) is 7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cccnc1.
What is the InChIKey of 7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is WOXOFWURAFDFRN-GOSISDBHSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-18(17-35-2)29-23-13-24(28-15-21(23)8-7-19-5-3-11-27-14-19)31-26(34)32-12-4-6-20-9-10-22(16-33)30-25(20)32/h3,5,9-11,13-16,18H,4,6,12,17H2,1-2H3,(H2,28,29,31,34)/t18-/m1/s1.
What are the key properties of 7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyl-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166632892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).