N-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine

C19H30N4 — CID 86825253

IUPACN-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine
SMILESCCCN(Cc1cnc2c(c1)c(C)nn2C)CC1CCCCC1
InChIInChI=1S/C19H30N4/c1-4-10-23(13-16-8-6-5-7-9-16)14-17-11-18-15(2)21-22(3)19(18)20-12-17/h11-12,16H,4-10,13-14H2,1-3H3
InChIKeyKSWQVLNRCSXEIS-UHFFFAOYSA-N
MW314.48 g/mol
LogP4.07
Rot. Bonds6

About N-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine

N-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine (PubChem CID 86825253) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine
PubChem CID86825253
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC NameN-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine
SMILESCCCN(Cc1cnc2c(c1)c(C)nn2C)CC1CCCCC1
InChIInChI=1S/C19H30N4/c1-4-10-23(13-16-8-6-5-7-9-16)14-17-11-18-15(2)21-22(3)19(18)20-12-17/h11-12,16H,4-10,13-14H2,1-3H3
InChIKeyKSWQVLNRCSXEIS-UHFFFAOYSA-N
XLogP4.07
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine (CID 86825253) is N-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine is CCCN(Cc1cnc2c(c1)c(C)nn2C)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine?
The InChIKey is KSWQVLNRCSXEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-4-10-23(13-16-8-6-5-7-9-16)14-17-11-18-15(2)21-22(3)19(18)20-12-17/h11-12,16H,4-10,13-14H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine?
N-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine has a molecular weight of 314.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 86825253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).