7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C22H29N5O — CID 4899422

IUPAC7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN1CCc2c(C#N)c(N3CCCC(C)C3)nc(NCc3ccco3)c2C1
InChIInChI=1S/C22H29N5O/c1-3-26-10-8-18-19(12-23)22(27-9-4-6-16(2)14-27)25-21(20(18)15-26)24-13-17-7-5-11-28-17/h5,7,11,16H,3-4,6,8-10,13-15H2,1-2H3,(H,24,25)
InChIKeyMQQKKEZEMMYKML-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.77
Rot. Bonds5

About 7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 4899422) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID4899422
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN1CCc2c(C#N)c(N3CCCC(C)C3)nc(NCc3ccco3)c2C1
InChIInChI=1S/C22H29N5O/c1-3-26-10-8-18-19(12-23)22(27-9-4-6-16(2)14-27)25-21(20(18)15-26)24-13-17-7-5-11-28-17/h5,7,11,16H,3-4,6,8-10,13-15H2,1-2H3,(H,24,25)
InChIKeyMQQKKEZEMMYKML-UHFFFAOYSA-N
XLogP3.77
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 658457
7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4860273
N-(furan-2-ylmethyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23491913
3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 658662
N-(furan-2-ylmethyl)-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936752
3-(benzylamino)-7-methyl-1-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 1400740
1-[4-(1,3-dihydroisoindol-2-yl)-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-yl]-3-(furan-2-ylmethyl)thiourea
CID 100778674
N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92724271
N-(furan-2-ylmethyl)-2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 95064303
1-[4-chloro-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-3-(furan-2-ylmethyl)thiourea
CID 133254604
3-(furan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80508635
1-(furan-2-ylmethyl)-3-[4-methoxy-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]thiourea
CID 133254566

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 4899422) is 7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CCN1CCc2c(C#N)c(N3CCCC(C)C3)nc(NCc3ccco3)c2C1.
What is the InChIKey of 7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is MQQKKEZEMMYKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-3-26-10-8-18-19(12-23)22(27-9-4-6-16(2)14-27)25-21(20(18)15-26)24-13-17-7-5-11-28-17/h5,7,11,16H,3-4,6,8-10,13-15H2,1-2H3,(H,24,25).
What are the key properties of 7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 379.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 4899422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).