N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide

C19H21N5O2 — CID 154767169

IUPACN-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide
SMILESCCC(=O)NCc1ccncc1O[C@H]1CCN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C19H21N5O2/c1-2-19(25)23-11-15-5-7-21-12-17(15)26-16-6-8-24(13-16)18-4-3-14(9-20)10-22-18/h3-5,7,10,12,16H,2,6,8,11,13H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyXQLXVRRKRYXOHX-INIZCTEOSA-N
MW351.41 g/mol
LogP2.03
Rot. Bonds6

About N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide

N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide (PubChem CID 154767169) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide
PubChem CID154767169
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide
SMILESCCC(=O)NCc1ccncc1O[C@H]1CCN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C19H21N5O2/c1-2-19(25)23-11-15-5-7-21-12-17(15)26-16-6-8-24(13-16)18-4-3-14(9-20)10-22-18/h3-5,7,10,12,16H,2,6,8,11,13H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyXQLXVRRKRYXOHX-INIZCTEOSA-N
XLogP2.03
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide with MolForge

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Related Compounds

6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 171701989
N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide
CID 154767252
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406496
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890918
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 51314226
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 133391014
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
CID 155951044

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide?
The IUPAC name of N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide (CID 154767169) is N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide.
What is the SMILES notation for N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide?
The canonical SMILES for N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide is CCC(=O)NCc1ccncc1O[C@H]1CCN(c2ccc(C#N)cn2)C1.
What is the InChIKey of N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide?
The InChIKey is XQLXVRRKRYXOHX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-19(25)23-11-15-5-7-21-12-17(15)26-16-6-8-24(13-16)18-4-3-14(9-20)10-22-18/h3-5,7,10,12,16H,2,6,8,11,13H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide?
N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide is sourced from PubChem (CID 154767169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).