N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide

C25H28N8O — CID 118646860

IUPACN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide
SMILESCCn1cc(-c2cnc3ccc(C(=O)Nc4cnccc4N4C[C@H](C)C[C@H](N)C4)nc3c2)cn1
InChIInChI=1S/C25H28N8O/c1-3-33-14-18(11-29-33)17-9-22-20(28-10-17)4-5-21(30-22)25(34)31-23-12-27-7-6-24(23)32-13-16(2)8-19(26)15-32/h4-7,9-12,14,16,19H,3,8,13,15,26H2,1-2H3,(H,31,34)/t16-,19+/m1/s1
InChIKeyYRXUYJKQFQHJIE-APWZRJJASA-N
MW456.55 g/mol
LogP3.33
Rot. Bonds5

About N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide (PubChem CID 118646860) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide
PubChem CID118646860
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide
SMILESCCn1cc(-c2cnc3ccc(C(=O)Nc4cnccc4N4C[C@H](C)C[C@H](N)C4)nc3c2)cn1
InChIInChI=1S/C25H28N8O/c1-3-33-14-18(11-29-33)17-9-22-20(28-10-17)4-5-21(30-22)25(34)31-23-12-27-7-6-24(23)32-13-16(2)8-19(26)15-32/h4-7,9-12,14,16,19H,3,8,13,15,26H2,1-2H3,(H,31,34)/t16-,19+/m1/s1
InChIKeyYRXUYJKQFQHJIE-APWZRJJASA-N
XLogP3.33
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide with MolForge

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Related Compounds

Dihydropyrrolopyrazole, 9
CID 10203646
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide (CID 118646860) is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide is CCn1cc(-c2cnc3ccc(C(=O)Nc4cnccc4N4C[C@H](C)C[C@H](N)C4)nc3c2)cn1.
What is the InChIKey of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide?
The InChIKey is YRXUYJKQFQHJIE-APWZRJJASA-N. The full InChI is InChI=1S/C25H28N8O/c1-3-33-14-18(11-29-33)17-9-22-20(28-10-17)4-5-21(30-22)25(34)31-23-12-27-7-6-24(23)32-13-16(2)8-19(26)15-32/h4-7,9-12,14,16,19H,3,8,13,15,26H2,1-2H3,(H,31,34)/t16-,19+/m1/s1.
What are the key properties of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide?
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(1-ethylpyrazol-4-yl)-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 118646860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).