N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

C22H35N7O — CID 53188710

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCNc1cc(N2CCC(CCC(=O)N(C)Cc3cn(C)nc3C)CC2)ncn1
InChIInChI=1S/C22H35N7O/c1-5-10-23-20-13-21(25-16-24-20)29-11-8-18(9-12-29)6-7-22(30)27(3)14-19-15-28(4)26-17(19)2/h13,15-16,18H,5-12,14H2,1-4H3,(H,23,24,25)
InChIKeyUMZZLYAWSGJUIF-UHFFFAOYSA-N
MW413.57 g/mol
LogP3.00
Rot. Bonds9

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 53188710) has the molecular formula C22H35N7O and a molecular weight of 413.57 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
PubChem CID53188710
Molecular FormulaC22H35N7O
Molecular Weight413.57 g/mol
Exact Mass413.29
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCNc1cc(N2CCC(CCC(=O)N(C)Cc3cn(C)nc3C)CC2)ncn1
InChIInChI=1S/C22H35N7O/c1-5-10-23-20-13-21(25-16-24-20)29-11-8-18(9-12-29)6-7-22(30)27(3)14-19-15-28(4)26-17(19)2/h13,15-16,18H,5-12,14H2,1-4H3,(H,23,24,25)
InChIKeyUMZZLYAWSGJUIF-UHFFFAOYSA-N
XLogP3.00
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (CID 53188710) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is CCCNc1cc(N2CCC(CCC(=O)N(C)Cc3cn(C)nc3C)CC2)ncn1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is UMZZLYAWSGJUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N7O/c1-5-10-23-20-13-21(25-16-24-20)29-11-8-18(9-12-29)6-7-22(30)27(3)14-19-15-28(4)26-17(19)2/h13,15-16,18H,5-12,14H2,1-4H3,(H,23,24,25).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 413.57 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53188710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).