2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

C18H29N5O — CID 95896772

IUPAC2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
SMILESCc1ncc2c(c1CNC(=O)CN1CC[C@H](N(C)C)C1)CCNC2
InChIInChI=1S/C18H29N5O/c1-13-17(16-4-6-19-8-14(16)9-20-13)10-21-18(24)12-23-7-5-15(11-23)22(2)3/h9,15,19H,4-8,10-12H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyLFQTVZLZODUWIJ-HNNXBMFYSA-N
MW331.46 g/mol
LogP0.29
Rot. Bonds5

About 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide (PubChem CID 95896772) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
PubChem CID95896772
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
SMILESCc1ncc2c(c1CNC(=O)CN1CC[C@H](N(C)C)C1)CCNC2
InChIInChI=1S/C18H29N5O/c1-13-17(16-4-6-19-8-14(16)9-20-13)10-21-18(24)12-23-7-5-15(11-23)22(2)3/h9,15,19H,4-8,10-12H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyLFQTVZLZODUWIJ-HNNXBMFYSA-N
XLogP0.29
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide?
The IUPAC name of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide (CID 95896772) is 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide is Cc1ncc2c(c1CNC(=O)CN1CC[C@H](N(C)C)C1)CCNC2.
What is the InChIKey of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide?
The InChIKey is LFQTVZLZODUWIJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-13-17(16-4-6-19-8-14(16)9-20-13)10-21-18(24)12-23-7-5-15(11-23)22(2)3/h9,15,19H,4-8,10-12H2,1-3H3,(H,21,24)/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide?
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide is sourced from PubChem (CID 95896772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).