N-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide

C19H28N4O2 — CID 146430147

IUPACN-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCCC1(C)CCc2cc(C(=O)N3CC[C@H](N(C)C(C)=O)C3)cnc2N1
InChIInChI=1S/C19H28N4O2/c1-5-19(3)8-6-14-10-15(11-20-17(14)21-19)18(25)23-9-7-16(12-23)22(4)13(2)24/h10-11,16H,5-9,12H2,1-4H3,(H,20,21)/t16-,19?/m0/s1
InChIKeyJGEUFZVAMIPFED-UCFFOFKASA-N
MW344.46 g/mol
LogP2.30
Rot. Bonds3

About N-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide

N-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 146430147) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide
PubChem CID146430147
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCCC1(C)CCc2cc(C(=O)N3CC[C@H](N(C)C(C)=O)C3)cnc2N1
InChIInChI=1S/C19H28N4O2/c1-5-19(3)8-6-14-10-15(11-20-17(14)21-19)18(25)23-9-7-16(12-23)22(4)13(2)24/h10-11,16H,5-9,12H2,1-4H3,(H,20,21)/t16-,19?/m0/s1
InChIKeyJGEUFZVAMIPFED-UCFFOFKASA-N
XLogP2.30
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide (CID 146430147) is N-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide is CCC1(C)CCc2cc(C(=O)N3CC[C@H](N(C)C(C)=O)C3)cnc2N1.
What is the InChIKey of N-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is JGEUFZVAMIPFED-UCFFOFKASA-N. The full InChI is InChI=1S/C19H28N4O2/c1-5-19(3)8-6-14-10-15(11-20-17(14)21-19)18(25)23-9-7-16(12-23)22(4)13(2)24/h10-11,16H,5-9,12H2,1-4H3,(H,20,21)/t16-,19?/m0/s1.
What are the key properties of N-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide?
N-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 344.46 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(7-ethyl-7-methyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 146430147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).