N-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide

C14H19N3O2 — CID 11777437

IUPACN-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide
SMILESO=C(NN1CC=C(CCCO)CC1)c1ccccn1
InChIInChI=1S/C14H19N3O2/c18-11-3-4-12-6-9-17(10-7-12)16-14(19)13-5-1-2-8-15-13/h1-2,5-6,8,18H,3-4,7,9-11H2,(H,16,19)
InChIKeyMVVVMYROMKWIOX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.13
Rot. Bonds5

About N-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide

N-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide (PubChem CID 11777437) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide
PubChem CID11777437
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide
SMILESO=C(NN1CC=C(CCCO)CC1)c1ccccn1
InChIInChI=1S/C14H19N3O2/c18-11-3-4-12-6-9-17(10-7-12)16-14(19)13-5-1-2-8-15-13/h1-2,5-6,8,18H,3-4,7,9-11H2,(H,16,19)
InChIKeyMVVVMYROMKWIOX-UHFFFAOYSA-N
XLogP1.13
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 19710906
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 61223962
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 55932888
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641
1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid
CID 119349505
[1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone
CID 116921184
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide (CID 11777437) is N-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide is O=C(NN1CC=C(CCCO)CC1)c1ccccn1.
What is the InChIKey of N-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide?
The InChIKey is MVVVMYROMKWIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-11-3-4-12-6-9-17(10-7-12)16-14(19)13-5-1-2-8-15-13/h1-2,5-6,8,18H,3-4,7,9-11H2,(H,16,19).
What are the key properties of N-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide?
N-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypropyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 11777437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).