1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile

C14H17N5 — CID 80636199

IUPAC1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile
SMILESCC(C)(C)NCc1ccc(-n2ccnc2C#N)nc1
InChIInChI=1S/C14H17N5/c1-14(2,3)18-10-11-4-5-12(17-9-11)19-7-6-16-13(19)8-15/h4-7,9,18H,10H2,1-3H3
InChIKeyDYOCBPKMSXJRHE-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.03
Rot. Bonds3

About 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile

1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile (PubChem CID 80636199) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile
PubChem CID80636199
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile
SMILESCC(C)(C)NCc1ccc(-n2ccnc2C#N)nc1
InChIInChI=1S/C14H17N5/c1-14(2,3)18-10-11-4-5-12(17-9-11)19-7-6-16-13(19)8-15/h4-7,9,18H,10H2,1-3H3
InChIKeyDYOCBPKMSXJRHE-UHFFFAOYSA-N
XLogP2.03
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile?
The IUPAC name of 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile (CID 80636199) is 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile.
What is the SMILES notation for 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile?
The canonical SMILES for 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile is CC(C)(C)NCc1ccc(-n2ccnc2C#N)nc1.
What is the InChIKey of 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile?
The InChIKey is DYOCBPKMSXJRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-14(2,3)18-10-11-4-5-12(17-9-11)19-7-6-16-13(19)8-15/h4-7,9,18H,10H2,1-3H3.
What are the key properties of 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile?
1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]imidazole-2-carbonitrile is sourced from PubChem (CID 80636199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).