3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide

C20H27N7O — CID 68622907

IUPAC3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
SMILESNC(=O)CCNc1nc(Nc2ccc(N3CCCCC3)nc2)ncc1C1CC1
InChIInChI=1S/C20H27N7O/c21-17(28)8-9-22-19-16(14-4-5-14)13-24-20(26-19)25-15-6-7-18(23-12-15)27-10-2-1-3-11-27/h6-7,12-14H,1-5,8-11H2,(H2,21,28)(H2,22,24,25,26)
InChIKeyMGCKAUPHGDEOJW-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.77
Rot. Bonds8

About 3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide

3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide (PubChem CID 68622907) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
PubChem CID68622907
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
SMILESNC(=O)CCNc1nc(Nc2ccc(N3CCCCC3)nc2)ncc1C1CC1
InChIInChI=1S/C20H27N7O/c21-17(28)8-9-22-19-16(14-4-5-14)13-24-20(26-19)25-15-6-7-18(23-12-15)27-10-2-1-3-11-27/h6-7,12-14H,1-5,8-11H2,(H2,21,28)(H2,22,24,25,26)
InChIKeyMGCKAUPHGDEOJW-UHFFFAOYSA-N
XLogP2.77
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide (CID 68622907) is 3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide is NC(=O)CCNc1nc(Nc2ccc(N3CCCCC3)nc2)ncc1C1CC1.
What is the InChIKey of 3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide?
The InChIKey is MGCKAUPHGDEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c21-17(28)8-9-22-19-16(14-4-5-14)13-24-20(26-19)25-15-6-7-18(23-12-15)27-10-2-1-3-11-27/h6-7,12-14H,1-5,8-11H2,(H2,21,28)(H2,22,24,25,26).
What are the key properties of 3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide?
3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide has a molecular weight of 381.48 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 68622907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).