N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide

C24H33N5O — CID 66770244

IUPACN-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCc1cc(N2CCc3ncccc3C2)nc(N2CCCC2)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C24H33N5O/c1-17-14-20(29-13-9-19-18(16-29)8-7-10-25-19)26-23(28-11-5-6-12-28)22(17)27-21(30)15-24(2,3)4/h7-8,10,14H,5-6,9,11-13,15-16H2,1-4H3,(H,27,30)
InChIKeySJBOPKOTXSHWBO-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.32
Rot. Bonds4

About N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide

N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 66770244) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide
PubChem CID66770244
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC NameN-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCc1cc(N2CCc3ncccc3C2)nc(N2CCCC2)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C24H33N5O/c1-17-14-20(29-13-9-19-18(16-29)8-7-10-25-19)26-23(28-11-5-6-12-28)22(17)27-21(30)15-24(2,3)4/h7-8,10,14H,5-6,9,11-13,15-16H2,1-4H3,(H,27,30)
InChIKeySJBOPKOTXSHWBO-UHFFFAOYSA-N
XLogP4.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide (CID 66770244) is N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide is Cc1cc(N2CCc3ncccc3C2)nc(N2CCCC2)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide?
The InChIKey is SJBOPKOTXSHWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-17-14-20(29-13-9-19-18(16-29)8-7-10-25-19)26-23(28-11-5-6-12-28)22(17)27-21(30)15-24(2,3)4/h7-8,10,14H,5-6,9,11-13,15-16H2,1-4H3,(H,27,30).
What are the key properties of N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide?
N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 407.56 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 66770244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).