7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C19H29N5 — CID 666067

IUPAC7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCC(C)CCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2
InChIInChI=1S/C19H29N5/c1-14(2)6-8-21-18-16(12-20)15-7-11-23(3)13-17(15)19(22-18)24-9-4-5-10-24/h14H,4-11,13H2,1-3H3,(H,21,22)
InChIKeyRGMLPLCSNQEKLO-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.00
Rot. Bonds5

About 7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 666067) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID666067
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCC(C)CCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2
InChIInChI=1S/C19H29N5/c1-14(2)6-8-21-18-16(12-20)15-7-11-23(3)13-17(15)19(22-18)24-9-4-5-10-24/h14H,4-11,13H2,1-3H3,(H,21,22)
InChIKeyRGMLPLCSNQEKLO-UHFFFAOYSA-N
XLogP3.00
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 666067) is 7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CC(C)CCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2.
What is the InChIKey of 7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is RGMLPLCSNQEKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-14(2)6-8-21-18-16(12-20)15-7-11-23(3)13-17(15)19(22-18)24-9-4-5-10-24/h14H,4-11,13H2,1-3H3,(H,21,22).
What are the key properties of 7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 327.48 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 666067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).