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N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

C21H22N4O2 — CID 171555163

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCC[C@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4)cc3cn2)cn1
InChIInChI=1S/C21H22N4O2/c1-3-19(26)18-6-12(2)16(11-23-18)17-7-14-10-24-20(8-15(14)9-22-17)25-21(27)13-4-5-13/h6-11,13,19,26H,3-5H2,1-2H3,(H,24,25,27)/t19-/m0/s1
InChIKeyIZWYJYYOMIEMCA-IBGZPJMESA-N
MW362.43 g/mol
LogP3.79
Rot. Bonds5

About N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 171555163) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID171555163
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCC[C@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4)cc3cn2)cn1
InChIInChI=1S/C21H22N4O2/c1-3-19(26)18-6-12(2)16(11-23-18)17-7-14-10-24-20(8-15(14)9-22-17)25-21(27)13-4-5-13/h6-11,13,19,26H,3-5H2,1-2H3,(H,24,25,27)/t19-/m0/s1
InChIKeyIZWYJYYOMIEMCA-IBGZPJMESA-N
XLogP3.79
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 171555163) is N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is CC[C@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4)cc3cn2)cn1.
What is the InChIKey of N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is IZWYJYYOMIEMCA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-19(26)18-6-12(2)16(11-23-18)17-7-14-10-24-20(8-15(14)9-22-17)25-21(27)13-4-5-13/h6-11,13,19,26H,3-5H2,1-2H3,(H,24,25,27)/t19-/m0/s1.
What are the key properties of N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 171555163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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