N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C17H23N5O — CID 167876917

IUPACN-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1CCc2[nH]nc(C(=O)Nc3cc(CN(C)C)ccn3)c2C1
InChIInChI=1S/C17H23N5O/c1-11-4-5-14-13(8-11)16(21-20-14)17(23)19-15-9-12(6-7-18-15)10-22(2)3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,20,21)(H,18,19,23)
InChIKeyMSXRAZIHZXGUSD-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.24
Rot. Bonds4

About N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 167876917) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID167876917
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1CCc2[nH]nc(C(=O)Nc3cc(CN(C)C)ccn3)c2C1
InChIInChI=1S/C17H23N5O/c1-11-4-5-14-13(8-11)16(21-20-14)17(23)19-15-9-12(6-7-18-15)10-22(2)3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,20,21)(H,18,19,23)
InChIKeyMSXRAZIHZXGUSD-UHFFFAOYSA-N
XLogP2.24
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46961739
N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 167830675
(5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 125178880
5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 167880764
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167992973
N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 77090443
5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 56713531
N-[(4-chlorophenyl)-pyrimidin-2-ylmethyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 166253174
5-methyl-N-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254425
(5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124757282
(5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 95203995
(6S)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26447575

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 167876917) is N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC1CCc2[nH]nc(C(=O)Nc3cc(CN(C)C)ccn3)c2C1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is MSXRAZIHZXGUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11-4-5-14-13(8-11)16(21-20-14)17(23)19-15-9-12(6-7-18-15)10-22(2)3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,20,21)(H,18,19,23).
What are the key properties of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 167876917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).