N-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

C19H29N7O — CID 56739969

IUPACN-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(c2cc(N(C)C)ncn2)CC1
InChIInChI=1S/C19H29N7O/c1-14(2)11-19(27)23-16-5-8-22-26(16)15-6-9-25(10-7-15)18-12-17(24(3)4)20-13-21-18/h5,8,12-15H,6-7,9-11H2,1-4H3,(H,23,27)
InChIKeyRWFRKUPCILOIRS-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.57
Rot. Bonds6

About N-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

N-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (PubChem CID 56739969) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
PubChem CID56739969
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC NameN-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(c2cc(N(C)C)ncn2)CC1
InChIInChI=1S/C19H29N7O/c1-14(2)11-19(27)23-16-5-8-22-26(16)15-6-9-25(10-7-15)18-12-17(24(3)4)20-13-21-18/h5,8,12-15H,6-7,9-11H2,1-4H3,(H,23,27)
InChIKeyRWFRKUPCILOIRS-UHFFFAOYSA-N
XLogP2.57
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of N-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (CID 56739969) is N-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccnn1C1CCN(c2cc(N(C)C)ncn2)CC1.
What is the InChIKey of N-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The InChIKey is RWFRKUPCILOIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-14(2)11-19(27)23-16-5-8-22-26(16)15-6-9-25(10-7-15)18-12-17(24(3)4)20-13-21-18/h5,8,12-15H,6-7,9-11H2,1-4H3,(H,23,27).
What are the key properties of N-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
N-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide has a molecular weight of 371.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 56739969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).