N-(3-cyano-4-propoxy-2-pyridinyl)benzamide

C16H15N3O2 — CID 175190653

IUPACN-(3-cyano-4-propoxy-2-pyridinyl)benzamide
SMILESCCCOc1ccnc(NC(=O)c2ccccc2)c1C#N
InChIInChI=1S/C16H15N3O2/c1-2-10-21-14-8-9-18-15(13(14)11-17)19-16(20)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,18,19,20)
InChIKeyIFVKHCVPAZFTDY-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.99
Rot. Bonds5

About N-(3-cyano-4-propoxy-2-pyridinyl)benzamide

N-(3-cyano-4-propoxy-2-pyridinyl)benzamide (PubChem CID 175190653) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(3-cyano-4-propoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(3-cyano-4-propoxy-2-pyridinyl)benzamide
PubChem CID175190653
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-(3-cyano-4-propoxy-2-pyridinyl)benzamide
SMILESCCCOc1ccnc(NC(=O)c2ccccc2)c1C#N
InChIInChI=1S/C16H15N3O2/c1-2-10-21-14-8-9-18-15(13(14)11-17)19-16(20)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,18,19,20)
InChIKeyIFVKHCVPAZFTDY-UHFFFAOYSA-N
XLogP2.99
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide
CID 141478692
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
3-[(3-cyanobenzoyl)amino]-4-propoxybenzoic acid
CID 110493770
3-benzamido-N-hydroxy-4-propoxybenzamide
CID 127046660
N-(2-cyanophenyl)-2-propoxybenzamide
CID 4947824
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
N-[3-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343590
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
phenyl-(2-propoxyphenyl)methanone
CID 15556308
4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide
CID 84560735

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-propoxy-2-pyridinyl)benzamide?
The IUPAC name of N-(3-cyano-4-propoxy-2-pyridinyl)benzamide (CID 175190653) is N-(3-cyano-4-propoxy-2-pyridinyl)benzamide.
What is the SMILES notation for N-(3-cyano-4-propoxy-2-pyridinyl)benzamide?
The canonical SMILES for N-(3-cyano-4-propoxy-2-pyridinyl)benzamide is CCCOc1ccnc(NC(=O)c2ccccc2)c1C#N.
What is the InChIKey of N-(3-cyano-4-propoxy-2-pyridinyl)benzamide?
The InChIKey is IFVKHCVPAZFTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-10-21-14-8-9-18-15(13(14)11-17)19-16(20)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,18,19,20).
What are the key properties of N-(3-cyano-4-propoxy-2-pyridinyl)benzamide?
N-(3-cyano-4-propoxy-2-pyridinyl)benzamide has a molecular weight of 281.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-propoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 175190653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).