3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C19H25ClN4O — CID 3249876

IUPAC3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(Cl)nc(N2CCOCC2)c2c1CCN(C1CCCCC1)C2
InChIInChI=1S/C19H25ClN4O/c20-18-16(12-21)15-6-7-24(14-4-2-1-3-5-14)13-17(15)19(22-18)23-8-10-25-11-9-23/h14H,1-11,13H2
InChIKeyMRWDGQDWOVCQPV-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.13
Rot. Bonds2

About 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 3249876) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID3249876
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(Cl)nc(N2CCOCC2)c2c1CCN(C1CCCCC1)C2
InChIInChI=1S/C19H25ClN4O/c20-18-16(12-21)15-6-7-24(14-4-2-1-3-5-14)13-17(15)19(22-18)23-8-10-25-11-9-23/h14H,1-11,13H2
InChIKeyMRWDGQDWOVCQPV-UHFFFAOYSA-N
XLogP3.13
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 3771706
3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile
CID 171987341
5-amino-1-cyclohexyl-3-morpholin-4-ylpyrazole-4-carbonitrile
CID 102808763
7-cyclohexyl-1-hydroxy-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
CID 910611
7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4887357
2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile
CID 831337
3-chloro-1-ethyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine-4-carbonitrile
CID 97181778
7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4860273
4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile
CID 163908046
ethyl 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]propanoate
CID 3971384
4-(4-cyclopentylpiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 171335261
3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile
CID 107057553

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 3249876) is 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is N#Cc1c(Cl)nc(N2CCOCC2)c2c1CCN(C1CCCCC1)C2.
What is the InChIKey of 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is MRWDGQDWOVCQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c20-18-16(12-21)15-6-7-24(14-4-2-1-3-5-14)13-17(15)19(22-18)23-8-10-25-11-9-23/h14H,1-11,13H2.
What are the key properties of 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 360.89 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 3249876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).