N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide

C14H19N7O2 — CID 135121925

IUPACN-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2nn[nH]n2)ccn1
InChIInChI=1S/C14H19N7O2/c22-14(16-3-1-5-21-6-8-23-9-7-21)12-10-11(2-4-15-12)13-17-19-20-18-13/h2,4,10H,1,3,5-9H2,(H,16,22)(H,17,18,19,20)
InChIKeyDTCDEBDILWHQER-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.29
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide

N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 135121925) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide
PubChem CID135121925
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2nn[nH]n2)ccn1
InChIInChI=1S/C14H19N7O2/c22-14(16-3-1-5-21-6-8-23-9-7-21)12-10-11(2-4-15-12)13-17-19-20-18-13/h2,4,10H,1,3,5-9H2,(H,16,22)(H,17,18,19,20)
InChIKeyDTCDEBDILWHQER-UHFFFAOYSA-N
XLogP-0.29
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 62243174
4-amino-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 62156261
N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
CID 141309481
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
4-N-(3-methoxypropyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109082488
4-[(2R)-2-methylpiperidin-1-yl]-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 95445040
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63724916
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109078417
N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508149
2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083732
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide (CID 135121925) is N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide is O=C(NCCCN1CCOCC1)c1cc(-c2nn[nH]n2)ccn1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is DTCDEBDILWHQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c22-14(16-3-1-5-21-6-8-23-9-7-21)12-10-11(2-4-15-12)13-17-19-20-18-13/h2,4,10H,1,3,5-9H2,(H,16,22)(H,17,18,19,20).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 135121925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).