N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C14H15N5O — CID 744810

IUPACN-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NN=Cc1cccnc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C14H15N5O/c20-14(19-16-9-10-4-3-7-15-8-10)13-11-5-1-2-6-12(11)17-18-13/h3-4,7-9H,1-2,5-6H2,(H,17,18)(H,19,20)
InChIKeyLTGOZTIYPADWPG-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.45
Rot. Bonds3

About N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 744810) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID744810
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NN=Cc1cccnc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C14H15N5O/c20-14(19-16-9-10-4-3-7-15-8-10)13-11-5-1-2-6-12(11)17-18-13/h3-4,7-9H,1-2,5-6H2,(H,17,18)(H,19,20)
InChIKeyLTGOZTIYPADWPG-UHFFFAOYSA-N
XLogP1.45
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 744838
N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 6865820
N-[(Z)-(4-methylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5392938
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5400012
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 6871485
N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5399697
N-[(4-propan-2-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 687707
N-[(2,6-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 687582
N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5437376
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 6142473
N-[(4-propan-2-ylphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 3831374
N-[(4-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 3677642

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 744810) is N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NN=Cc1cccnc1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is LTGOZTIYPADWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-14(19-16-9-10-4-3-7-15-8-10)13-11-5-1-2-6-12(11)17-18-13/h3-4,7-9H,1-2,5-6H2,(H,17,18)(H,19,20).
What are the key properties of N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 744810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).