6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile

C18H26N4 — CID 56866712

IUPAC6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile
SMILESCC(C)C1CN(c2cccc(C#N)n2)CCCN1CC1CC1
InChIInChI=1S/C18H26N4/c1-14(2)17-13-22(18-6-3-5-16(11-19)20-18)10-4-9-21(17)12-15-7-8-15/h3,5-6,14-15,17H,4,7-10,12-13H2,1-2H3
InChIKeyMEDJKEORYVTWFV-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.90
Rot. Bonds4

About 6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile

6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile (PubChem CID 56866712) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile
PubChem CID56866712
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile
SMILESCC(C)C1CN(c2cccc(C#N)n2)CCCN1CC1CC1
InChIInChI=1S/C18H26N4/c1-14(2)17-13-22(18-6-3-5-16(11-19)20-18)10-4-9-21(17)12-15-7-8-15/h3,5-6,14-15,17H,4,7-10,12-13H2,1-2H3
InChIKeyMEDJKEORYVTWFV-UHFFFAOYSA-N
XLogP2.90
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile (CID 56866712) is 6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile is CC(C)C1CN(c2cccc(C#N)n2)CCCN1CC1CC1.
What is the InChIKey of 6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile?
The InChIKey is MEDJKEORYVTWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-14(2)17-13-22(18-6-3-5-16(11-19)20-18)10-4-9-21(17)12-15-7-8-15/h3,5-6,14-15,17H,4,7-10,12-13H2,1-2H3.
What are the key properties of 6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile?
6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile has a molecular weight of 298.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 56866712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).