N-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C28H31N5O3 — CID 177187400

IUPACN-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ncc(-c2nc3cc([C@]4(O)CCCN(C(C)C)C4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C28H31N5O3/c1-16(2)33-10-4-9-28(35,15-33)19-7-8-24-23(11-19)31-27(36-24)22-14-29-17(3)21-13-30-25(12-20(21)22)32-26(34)18-5-6-18/h7-8,11-14,16,18,35H,4-6,9-10,15H2,1-3H3,(H,30,32,34)/t28-/m0/s1
InChIKeySHNAQFXTWCCBOM-NDEPHWFRSA-N
MW485.59 g/mol
LogP4.79
Rot. Bonds5

About N-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 177187400) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID177187400
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC NameN-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ncc(-c2nc3cc([C@]4(O)CCCN(C(C)C)C4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C28H31N5O3/c1-16(2)33-10-4-9-28(35,15-33)19-7-8-24-23(11-19)31-27(36-24)22-14-29-17(3)21-13-30-25(12-20(21)22)32-26(34)18-5-6-18/h7-8,11-14,16,18,35H,4-6,9-10,15H2,1-3H3,(H,30,32,34)/t28-/m0/s1
InChIKeySHNAQFXTWCCBOM-NDEPHWFRSA-N
XLogP4.79
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[8-(difluoromethyl)-5-[5-[(3S)-3-hydroxy-1-methylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177187147
(2R)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 177186640
(2S)-N-[5-[5-[(3S)-3-hydroxyoxolan-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 177187332
N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177187460
N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177186797
1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol
CID 177187081
N-[5-[5-(3-hydroxyoxolan-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177187236
N-[8-methyl-5-[6-(oxolan-3-yl)-[1,3]oxazolo[5,4-c]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177186958
N-[5-(5-amino-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626703
N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627187
N-[5-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678127
N-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177187476

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 177187400) is N-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ncc(-c2nc3cc([C@]4(O)CCCN(C(C)C)C4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is SHNAQFXTWCCBOM-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-16(2)33-10-4-9-28(35,15-33)19-7-8-24-23(11-19)31-27(36-24)22-14-29-17(3)21-13-30-25(12-20(21)22)32-26(34)18-5-6-18/h7-8,11-14,16,18,35H,4-6,9-10,15H2,1-3H3,(H,30,32,34)/t28-/m0/s1.
What are the key properties of N-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 485.59 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(3R)-3-hydroxy-1-propan-2-ylpiperidin-3-yl]-1,3-benzoxazol-2-yl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 177187400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).