3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile

C14H19N3O — CID 164632824

IUPAC3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile
SMILESCC(C)[C@H](O)C1(CNc2cccnc2C#N)CC1
InChIInChI=1S/C14H19N3O/c1-10(2)13(18)14(5-6-14)9-17-11-4-3-7-16-12(11)8-15/h3-4,7,10,13,17-18H,5-6,9H2,1-2H3/t13-/m0/s1
InChIKeyZHZCANFJUBLOLM-ZDUSSCGKSA-N
MW245.33 g/mol
LogP2.16
Rot. Bonds5

About 3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile

3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile (PubChem CID 164632824) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile
PubChem CID164632824
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile
SMILESCC(C)[C@H](O)C1(CNc2cccnc2C#N)CC1
InChIInChI=1S/C14H19N3O/c1-10(2)13(18)14(5-6-14)9-17-11-4-3-7-16-12(11)8-15/h3-4,7,10,13,17-18H,5-6,9H2,1-2H3/t13-/m0/s1
InChIKeyZHZCANFJUBLOLM-ZDUSSCGKSA-N
XLogP2.16
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol
CID 642217
2-ethyl-2-(hydroxymethyl)-N-(6-methyl-3-pyridinyl)butanamide
CID 137348231
5-[(4-Hydroxycyclohexyl)amino]pyridine-2-carbonitrile
CID 79839194
5-[[1-(2-Methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile
CID 86779192
5-[(1-Hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile
CID 86781572
5-[1-(Oxan-3-yl)ethylamino]pyridine-2-carbonitrile
CID 86785465
3-[(3-Methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile
CID 114119321
4-[(5-Fluoro-2-pyridinyl)methylamino]-3,3-dimethylbutan-1-ol
CID 132322470
5-[(2-Propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile
CID 136513353
1-[(3-Fluoro-2-pyridinyl)methylamino]-3-methylbutan-2-ol
CID 135122746
(E,2R)-5-amino-2-ethyl-4-fluoro-1-(pyridin-3-ylamino)pent-4-en-1-ol
CID 173973608
2,2-Dimethyl-5-(3-pyridinylamino)-1-pentanol
CID 101399948

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile (CID 164632824) is 3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile is CC(C)[C@H](O)C1(CNc2cccnc2C#N)CC1.
What is the InChIKey of 3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile?
The InChIKey is ZHZCANFJUBLOLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)13(18)14(5-6-14)9-17-11-4-3-7-16-12(11)8-15/h3-4,7,10,13,17-18H,5-6,9H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile?
3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 164632824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).