6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile

C18H21N5O — CID 154761391

IUPAC6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(N[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)ccc1C#N
InChIInChI=1S/C18H21N5O/c1-12-14(8-19)4-5-17(21-12)22-16-6-7-24-18(16)15-9-20-23(11-15)10-13-2-3-13/h4-5,9,11,13,16,18H,2-3,6-7,10H2,1H3,(H,21,22)/t16-,18+/m0/s1
InChIKeyDZRIQGOWZIQVRA-FUHWJXTLSA-N
MW323.40 g/mol
LogP2.81
Rot. Bonds5

About 6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile

6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile (PubChem CID 154761391) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile
PubChem CID154761391
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(N[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)ccc1C#N
InChIInChI=1S/C18H21N5O/c1-12-14(8-19)4-5-17(21-12)22-16-6-7-24-18(16)15-9-20-23(11-15)10-13-2-3-13/h4-5,9,11,13,16,18H,2-3,6-7,10H2,1H3,(H,21,22)/t16-,18+/m0/s1
InChIKeyDZRIQGOWZIQVRA-FUHWJXTLSA-N
XLogP2.81
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile with MolForge

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Related Compounds

2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine
CID 167750976
2-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-4-fluorobenzenesulfonamide
CID 154753375
6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile
CID 136544292
6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile
CID 154761531
3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide
CID 129005291
3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol
CID 136588317
3-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-4-fluorobenzenesulfonamide
CID 129005444
6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid
CID 122055512
2-[1-(cyclohexylmethyl)pyrazol-4-yl]-4-methylbenzonitrile
CID 172915473
6-[[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile
CID 154756720
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide
CID 136581043
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile (CID 154761391) is 6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile is Cc1nc(N[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)ccc1C#N.
What is the InChIKey of 6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile?
The InChIKey is DZRIQGOWZIQVRA-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-14(8-19)4-5-17(21-12)22-16-6-7-24-18(16)15-9-20-23(11-15)10-13-2-3-13/h4-5,9,11,13,16,18H,2-3,6-7,10H2,1H3,(H,21,22)/t16-,18+/m0/s1.
What are the key properties of 6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile?
6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 154761391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).