3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile

C14H18N4 — CID 82813472

IUPAC3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N(CC2CC2)CC2CC2)c1N
InChIInChI=1S/C14H18N4/c15-7-12-5-6-17-14(13(12)16)18(8-10-1-2-10)9-11-3-4-11/h5-6,10-11H,1-4,8-9,16H2
InChIKeyPCFSZERCVCGYSG-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.16
Rot. Bonds5

About 3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile

3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile (PubChem CID 82813472) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile
PubChem CID82813472
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N(CC2CC2)CC2CC2)c1N
InChIInChI=1S/C14H18N4/c15-7-12-5-6-17-14(13(12)16)18(8-10-1-2-10)9-11-3-4-11/h5-6,10-11H,1-4,8-9,16H2
InChIKeyPCFSZERCVCGYSG-UHFFFAOYSA-N
XLogP2.16
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile (CID 82813472) is 3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile is N#Cc1ccnc(N(CC2CC2)CC2CC2)c1N.
What is the InChIKey of 3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile?
The InChIKey is PCFSZERCVCGYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-7-12-5-6-17-14(13(12)16)18(8-10-1-2-10)9-11-3-4-11/h5-6,10-11H,1-4,8-9,16H2.
What are the key properties of 3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile?
3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 82813472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).